 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer01_STD_B3LYPDBJ_augccpVDZ.in
 Output=30_ibuprofen_conformer01_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-32578.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32579.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer01_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.646549000000     -0.738131000000     -0.801564000000
  C                                                -1.432592000000     -0.511522000000      0.329783000000
  C                                                 0.680010000000     -0.338401000000     -0.847846000000
  C                                                 1.266867000000      0.302071000000      0.243935000000
  C                                                 0.492409000000      0.520436000000      1.377965000000
  C                                                -0.838534000000      0.122026000000      1.417910000000
  C                                                -2.882387000000     -0.913637000000      0.347539000000
  C                                                -3.797679000000      0.013396000000     -0.476375000000
  C                                                -3.787727000000      1.442814000000      0.061806000000
  C                                                -5.218015000000     -0.547768000000     -0.520760000000
  C                                                 2.713060000000      0.767110000000      0.191830000000
  C                                                 3.602939000000     -0.429270000000     -0.086386000000
  O                                                 3.981236000000     -0.787282000000     -1.171710000000
  O                                                 3.915201000000     -1.096316000000      1.047826000000
  H                                                -1.080077000000     -1.240686000000     -1.658424000000
  H                                                 1.270566000000     -0.537518000000     -1.733203000000
  H                                                 0.933056000000      1.005917000000      2.240389000000
  H                                                -1.424007000000      0.306057000000      2.310676000000
  H                                                -3.244624000000     -0.936082000000      1.379648000000
  H                                                -2.980608000000     -1.931165000000     -0.041430000000
  H                                                -3.406098000000      0.034214000000     -1.499523000000
  H                                                -4.163541000000      1.470389000000      1.088857000000
  H                                                -4.425556000000      2.090476000000     -0.542757000000
  H                                                -2.782177000000      1.864314000000      0.062741000000
  H                                                -5.646809000000     -0.595436000000      0.484188000000
  H                                                -5.235024000000     -1.556669000000     -0.938514000000
  H                                                -5.870883000000      0.080410000000     -1.129959000000
  H                                                 2.976513000000      1.139253000000      1.182625000000
  C                                                 2.933498000000      1.865447000000     -0.850054000000
  H                                                 4.436417000000     -1.871707000000      0.786177000000
  H                                                 2.278614000000      2.710285000000     -0.637065000000
  H                                                 2.713092000000      1.497500000000     -1.850637000000
  H                                                 3.967865000000      2.211791000000     -0.839432000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.396124   0.000000
     3  C    1.386248   2.424844   0.000000
     4  C    2.415833   2.820706   1.395203   0.000000
     5  C    2.762528   2.422654   2.393121   1.390501   0.000000
     6  C    2.388052   1.392231   2.766156   2.417302   1.389869
     7  C    2.519963   1.504632   3.801383   4.324926   3.808883
     8  C    3.255789   2.553246   4.506823   5.123652   4.701119
     9  C    3.920322   3.072117   4.894984   5.184919   4.571938
    10  C    4.584036   3.879970   5.910797   6.584883   6.111887
    11  C    3.813077   4.340549   2.537001   1.520017   2.529635
    12  C    4.320304   5.053369   3.021852   2.470062   3.566744
    13  O    4.642824   5.624950   3.347309   3.249391   4.514741
    14  O    4.935393   5.427381   3.825502   3.100871   3.799787
    15  H    1.083844   2.146838   2.137536   3.392229   3.846287
    16  H    2.140917   3.400537   1.082710   2.148022   3.377005
    17  H    3.845820   3.398430   3.377635   2.143049   1.083345
    18  H    3.373545   2.142999   3.849477   3.392969   2.142092
    19  H    3.398068   2.136803   4.552110   4.814189   4.010843
    20  H    2.729279   2.132965   4.072754   4.807267   4.481839
    21  H    2.949368   2.745708   4.154492   4.994797   4.869775
    22  H    4.562947   3.458648   5.521098   5.618558   4.760658
    23  H    4.727462   4.060733   5.662096   6.018385   5.508228
    24  H    3.475723   2.745412   4.203315   4.343753   3.776074
    25  H    5.164893   4.217879   6.470627   6.975827   6.303492
    26  H    4.662924   4.142390   6.039870   6.864961   6.517970
    27  H    5.298256   4.709528   6.570326   7.272152   6.853816
    28  H    4.537417   4.784622   3.402969   2.122475   2.567463
    29  C    4.426930   5.109280   3.152009   2.533499   3.568198
    30  H    5.444489   6.041826   4.373974   3.881415   4.650566
    31  H    4.524954   5.008781   3.448833   2.756681   3.470780
    32  H    4.169627   5.096773   2.917112   2.812090   4.038559
    33  H    5.476887   6.160230   4.160954   3.480820   4.456044
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.528958   0.000000
     8  C    3.515203   1.541423   0.000000
     9  C    3.504460   2.540501   1.527407   0.000000
    10  C    4.836002   2.518524   1.527819   2.519429   0.000000
    11  C    3.812247   5.844500   6.588194   6.537103   8.070851
    12  C    4.721601   6.517849   7.424095   7.625523   8.832437
    13  O    5.546454   7.030889   7.850866   8.176287   9.225363
    14  O    4.921312   6.836006   7.939973   8.170344   9.283157
    15  H    3.373301   2.716463   3.217969   4.182312   4.347062
    16  H    3.848742   4.660254   5.250736   5.721023   6.600894
    17  H    2.143890   4.671742   5.544886   5.217556   6.919072
    18  H    1.083364   2.732843   3.672550   3.454968   4.810462
    19  H    2.628750   1.094061   2.156896   2.773232   2.767058
    20  H    3.306622   1.093758   2.153625   3.470711   2.673861
    21  H    3.887353   2.141105   1.095719   2.137181   2.140029
    22  H    3.603058   2.806152   2.169478   1.093997   2.788501
    23  H    4.537151   3.492663   2.170921   1.091691   2.754779
    24  H    2.941054   2.794309   2.178942   1.090318   3.477344
    25  H    4.950363   2.786028   2.170861   2.790888   1.093644
    26  H    5.263067   2.757231   2.178219   3.477385   1.092103
    27  H    5.640736   3.478827   2.174819   2.759708   1.091773
    28  H    3.955337   6.264059   7.064666   6.863186   8.538024
    29  C    4.734068   6.556070   6.991314   6.795953   8.507597
    30  H    5.674431   7.394268   8.540959   8.896477   9.832037
    31  H    4.542975   6.382647   6.649840   6.236617   8.174832
    32  H    5.018902   6.477264   6.817720   6.776509   8.297840
    33  H    5.706503   7.622542   8.078888   7.845557   9.596724
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516777   0.000000
    13  O    2.425623   1.203831   0.000000
    14  O    2.377021   1.352366   2.241919   0.000000
    15  H    4.673604   5.006030   5.104836   5.683083   0.000000
    16  H    2.736530   2.857217   2.779458   3.878205   2.454702
    17  H    2.724342   3.821246   4.914202   3.838591   4.929571
    18  H    4.670910   5.617544   6.522197   5.662913   4.273694
    19  H    6.309182   7.021056   7.664504   7.169301   3.742717
    20  H    6.304994   6.752836   7.145157   7.031048   2.589102
    21  H    6.390767   7.165080   7.440095   7.833805   2.657253
    22  H    6.970430   8.081343   8.748979   8.476776   4.940165
    23  H    7.297311   8.426988   8.907930   9.069389   4.851142
    24  H    5.605190   6.786197   7.368757   7.388545   3.937077
    25  H    8.475224   9.268819   9.771287   9.591695   5.085487
    26  H    8.357611   8.950237   9.251259   9.374651   4.228676
    27  H    8.712219   9.544743   9.890343  10.094299   4.997639
    28  H    1.090675   2.112596   3.203732   2.428389   5.494688
    29  C    1.529856   2.509396   2.870224   3.652086   5.139096
    30  H    3.207267   1.880605   2.283963   0.970236   6.066792
    31  H    2.156789   3.451650   3.926543   4.472973   5.285277
    32  H    2.169134   2.759864   2.699881   4.071122   4.682173
    33  H    2.173739   2.770461   3.017454   3.808948   6.170256
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276159   0.000000
    18  H    4.932069   2.459774   0.000000
    19  H    5.498694   4.686709   2.392565   0.000000
    20  H    4.782973   5.399066   3.600079   1.754810   0.000000
    21  H    4.717274   5.810284   4.303510   3.042560   2.483907
    22  H    6.444007   5.245671   3.217694   2.592310   3.774579
    23  H    6.385086   6.134891   4.509493   3.774956   4.302650
    24  H    5.041720   4.391122   3.053850   3.128949   3.802090
    25  H    7.264314   6.995941   4.688369   2.586190   3.028048
    26  H    6.632714   7.397127   5.343298   3.117803   2.455076
    27  H    7.193471   7.649143   5.627041   3.772084   3.685786
    28  H    3.771455   2.304856   4.618581   6.561126   6.812714
    29  C    3.052791   3.780397   5.604441   7.140681   7.074234
    30  H    4.260276   4.761196   6.435163   7.760541   7.463292
    31  H    3.572940   3.604877   5.308379   6.918763   7.039691
    32  H    2.497192   4.488505   5.987625   7.200795   6.888192
    33  H    3.953852   4.488819   6.528958   8.176394   8.129094
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055492   0.000000
    23  H    2.486546   1.765028   0.000000
    24  H    2.485802   1.765292   1.765919   0.000000
    25  H    3.058162   2.614066   3.124132   3.799224   0.000000
    26  H    2.488094   3.797550   3.756798   4.326904   1.765677
    27  H    2.492765   3.125732   2.544433   3.760977   1.764213
    28  H    7.010902   7.148343   7.659791   5.911207   8.823754
    29  C    6.630664   7.367728   7.368904   5.788103   9.025398
    30  H    8.388206   9.231495   9.797935   8.160227  10.168162
    31  H    6.342014   6.783621   6.733421   5.178513   8.660100
    32  H    6.301506   7.478599   7.281653   5.830399   8.928591
    33  H    7.717052   8.389740   8.399539   6.818924  10.103190
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766634   0.000000
    28  H    8.899245   9.205738   0.000000
    29  C    8.856831   8.987871   2.158933   0.000000
    30  H    9.829068  10.664088   3.369625   4.347682   0.000000
    31  H    8.645954   8.577499   2.503293   1.089949   5.260835
    32  H    8.563438   8.729957   3.065683   1.088637   4.612396
    33  H    9.945063  10.071155   2.494360   1.090863   4.420079
                   31         32         33
    31  H    0.000000
    32  H    1.769852   0.000000
    33  H    1.772856   1.762726   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5483934           0.2444328           0.2419028
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5421025730 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618060030 Hartrees.
 Nuclear repulsion after empirical dispersion term =      970.4802965700 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:              17.7 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  1.00D-06 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:              11.8 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:45 2021, MaxMem=  6442450944 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.841682309624    
 DIIS: error= 1.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.841682309624     IErMin= 1 ErrMin= 1.72D-03
 ErrMax= 1.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.05D-03 BMatP= 7.05D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.221 Goal=   None    Shift=    0.000
 GapD=    0.221 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.51D-02 MaxDP=9.30D+00              OVMax= 1.45D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.19D-02    CP:  2.04D+00
 E= -656.847457135601     Delta-E=       -0.005774825977 Rises=F Damp=F
 DIIS: error= 2.91D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.847457135601     IErMin= 2 ErrMin= 2.91D-04
 ErrMax= 2.91D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-04 BMatP= 7.05D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.91D-03
 Coeff-Com:  0.113D-01 0.989D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.112D-01 0.989D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=2.84D-03 MaxDP=3.68D-01 DE=-5.77D-03 OVMax= 3.99D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.77D-04    CP:  2.07D+00  1.04D+00
 E= -656.847366994543     Delta-E=        0.000090141057 Rises=F Damp=F
 DIIS: error= 4.59D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.847457135601     IErMin= 2 ErrMin= 2.91D-04
 ErrMax= 4.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-04 BMatP= 1.13D-04
 IDIUse=3 WtCom= 3.18D-01 WtEn= 6.82D-01
 Coeff-Com: -0.777D-02 0.603D+00 0.405D+00
 Coeff-En:   0.000D+00 0.646D+00 0.354D+00
 Coeff:     -0.247D-02 0.632D+00 0.370D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.52D-04 MaxDP=7.30D-03 DE= 9.01D-05 OVMax= 2.61D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.78D-05    CP:  2.07D+00  1.04D+00  9.11D-01
 E= -656.847552238119     Delta-E=       -0.000185243576 Rises=F Damp=F
 DIIS: error= 4.61D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.847552238119     IErMin= 4 ErrMin= 4.61D-05
 ErrMax= 4.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-06 BMatP= 1.13D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.486D-02 0.258D+00 0.164D+00 0.582D+00
 Coeff:     -0.486D-02 0.258D+00 0.164D+00 0.582D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=7.20D-05 MaxDP=6.14D-03 DE=-1.85D-04 OVMax= 8.49D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.85D-05    CP:  2.07D+00  1.04D+00  8.90D-01  1.22D+00
 E= -656.847554109509     Delta-E=       -0.000001871390 Rises=F Damp=F
 DIIS: error= 3.00D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.847554109509     IErMin= 5 ErrMin= 3.00D-05
 ErrMax= 3.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-06 BMatP= 3.63D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D-02 0.533D-01 0.328D-01 0.402D+00 0.514D+00
 Coeff:     -0.180D-02 0.533D-01 0.328D-01 0.402D+00 0.514D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.42D-05 MaxDP=2.47D-03 DE=-1.87D-06 OVMax= 4.54D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.11D-05    CP:  2.07D+00  1.04D+00  8.90D-01  1.23D+00  9.64D-01
 E= -656.847555404177     Delta-E=       -0.000001294668 Rises=F Damp=F
 DIIS: error= 5.54D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.847555404177     IErMin= 6 ErrMin= 5.54D-06
 ErrMax= 5.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.87D-08 BMatP= 1.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.545D-03 0.789D-02 0.530D-02 0.179D+00 0.289D+00 0.520D+00
 Coeff:     -0.545D-03 0.789D-02 0.530D-02 0.179D+00 0.289D+00 0.520D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=5.12D-06 MaxDP=3.86D-04 DE=-1.29D-06 OVMax= 7.76D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.43D-06    CP:  2.07D+00  1.04D+00  8.94D-01  1.22D+00  9.17D-01
                    CP:  1.08D+00
 E= -656.847555489707     Delta-E=       -0.000000085530 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.847555489707     IErMin= 7 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-09 BMatP= 9.87D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.800D-04-0.142D-02-0.375D-03 0.391D-01 0.757D-01 0.225D+00
 Coeff-Com:  0.662D+00
 Coeff:     -0.800D-04-0.142D-02-0.375D-03 0.391D-01 0.757D-01 0.225D+00
 Coeff:      0.662D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.47D-06 MaxDP=8.11D-05 DE=-8.55D-08 OVMax= 2.21D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  2.07D+00  1.04D+00  8.94D-01  1.22D+00  9.23D-01
                    CP:  1.06D+00  8.12D-01
 E= -656.847555493323     Delta-E=       -0.000000003616 Rises=F Damp=F
 DIIS: error= 4.52D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.847555493323     IErMin= 8 ErrMin= 4.52D-07
 ErrMax= 4.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.28D-10 BMatP= 4.27D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-04-0.107D-02-0.398D-03 0.103D-01 0.230D-01 0.872D-01
 Coeff-Com:  0.343D+00 0.538D+00
 Coeff:     -0.139D-04-0.107D-02-0.398D-03 0.103D-01 0.230D-01 0.872D-01
 Coeff:      0.343D+00 0.538D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=5.05D-07 MaxDP=2.95D-05 DE=-3.62D-09 OVMax= 1.26D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.63D-07    CP:  2.07D+00  1.04D+00  8.94D-01  1.22D+00  9.25D-01
                    CP:  1.06D+00  8.57D-01  8.61D-01
 E= -656.847555493782     Delta-E=       -0.000000000460 Rises=F Damp=F
 DIIS: error= 2.12D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.847555493782     IErMin= 9 ErrMin= 2.12D-07
 ErrMax= 2.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.97D-11 BMatP= 5.28D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.421D-05-0.434D-03-0.180D-03 0.478D-03 0.287D-02 0.198D-01
 Coeff-Com:  0.107D+00 0.328D+00 0.542D+00
 Coeff:      0.421D-05-0.434D-03-0.180D-03 0.478D-03 0.287D-02 0.198D-01
 Coeff:      0.107D+00 0.328D+00 0.542D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.87D-07 MaxDP=9.04D-06 DE=-4.60D-10 OVMax= 5.11D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.15D-07    CP:  2.07D+00  1.04D+00  8.95D-01  1.22D+00  9.24D-01
                    CP:  1.06D+00  8.43D-01  8.96D-01  7.99D-01
 E= -656.847555493967     Delta-E=       -0.000000000185 Rises=F Damp=F
 DIIS: error= 5.28D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.847555493967     IErMin=10 ErrMin= 5.28D-08
 ErrMax= 5.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.89D-12 BMatP= 9.97D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.362D-05-0.178D-03-0.731D-04-0.531D-03-0.293D-04 0.506D-02
 Coeff-Com:  0.368D-01 0.148D+00 0.310D+00 0.501D+00
 Coeff:      0.362D-05-0.178D-03-0.731D-04-0.531D-03-0.293D-04 0.506D-02
 Coeff:      0.368D-01 0.148D+00 0.310D+00 0.501D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=5.68D-08 MaxDP=5.44D-06 DE=-1.85D-10 OVMax= 1.07D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.88D-08    CP:  2.07D+00  1.04D+00  8.95D-01  1.22D+00  9.24D-01
                    CP:  1.06D+00  8.44D-01  9.02D-01  8.25D-01  9.13D-01
 E= -656.847555493841     Delta-E=        0.000000000126 Rises=F Damp=F
 DIIS: error= 1.06D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.847555493967     IErMin=11 ErrMin= 1.06D-08
 ErrMax= 1.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-13 BMatP= 7.89D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-05-0.338D-04-0.115D-04-0.298D-03-0.283D-03 0.268D-03
 Coeff-Com:  0.578D-02 0.318D-01 0.818D-01 0.216D+00 0.665D+00
 Coeff:      0.107D-05-0.338D-04-0.115D-04-0.298D-03-0.283D-03 0.268D-03
 Coeff:      0.578D-02 0.318D-01 0.818D-01 0.216D+00 0.665D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.09D-08 MaxDP=2.12D-06 DE= 1.26D-10 OVMax= 3.24D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.03D-08    CP:  2.07D+00  1.04D+00  8.95D-01  1.22D+00  9.24D-01
                    CP:  1.06D+00  8.44D-01  9.06D-01  8.32D-01  9.20D-01
                    CP:  8.70D-01
 E= -656.847555493907     Delta-E=       -0.000000000066 Rises=F Damp=F
 DIIS: error= 6.49D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -656.847555493967     IErMin=12 ErrMin= 6.49D-09
 ErrMax= 6.49D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.04D-14 BMatP= 3.34D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.309D-06-0.408D-05 0.335D-06-0.132D-03-0.160D-03-0.308D-03
 Coeff-Com:  0.828D-04 0.516D-02 0.203D-01 0.822D-01 0.406D+00 0.486D+00
 Coeff:      0.309D-06-0.408D-05 0.335D-06-0.132D-03-0.160D-03-0.308D-03
 Coeff:      0.828D-04 0.516D-02 0.203D-01 0.822D-01 0.406D+00 0.486D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=5.56D-09 MaxDP=3.87D-07 DE=-6.59D-11 OVMax= 1.44D-07

 SCF Done:  E(RB3LYP) =  -656.847555494     A.U. after   12 cycles
            NFock= 12  Conv=0.56D-08     -V/T= 2.0060
 KE= 6.529443870852D+02 PE=-3.468374282783D+03 EE= 1.188102043634D+03
 Leave Link  502 at Wed Sep  8 12:45:07 2021, MaxMem=  6442450944 cpu:            7375.7 elap:             922.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10908917D+03

 Leave Link  801 at Wed Sep  8 12:45:08 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10255 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 5.20D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 3.33D-01 1.64D-01.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 9.72D-02 9.10D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 9.60D-03 2.23D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 2.79D-03 1.40D-02.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.98D-04 2.99D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 8.81D-06 5.50D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.44D-07 6.91D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 6.59D-09 1.32D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.72D-10 1.96D-06.
      8 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 2.68D-12 2.90D-07.
      4 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 1.49D-13 3.33D-08.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 3.63D-14 1.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.228798D+03
      2  0.931989D+01  0.141133D+03
      3 -0.433528D+01  0.697285D+01  0.153558D+03
 Isotropic polarizability for W=    0.088559      174.50 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.272148D+03 -0.772109D+02 -0.520989D+02
      2   0.147827D+03  0.701355D+02  0.165654D+01
      3   0.124321D+03  0.707541D+01  0.504423D+02
      4  -0.109888D+02 -0.102309D+03 -0.297407D+02
      5  -0.471215D+02 -0.278317D+02 -0.801876D+02
      6  -0.758552D+01 -0.228016D+02  0.196844D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.711067D+01 -0.137152D+01 -0.614149D+01
      2  -0.436243D+02 -0.167976D+02 -0.380930D+02
      3   0.296872D+02  0.563635D+02  0.910141D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.190907D+01 -0.244582D+02 -0.126090D+02
      2  -0.497732D+01 -0.221552D+02 -0.204509D+03
      3   0.662220D+02  0.250136D+03  0.202461D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.337081D+01  0.756951D+01  0.815192D+00
      2   0.756951D+01  0.256724D+01  0.113574D+01
      3   0.815192D+00  0.113574D+01  0.218093D+00
 OR G Eigenvalues:    -8.5329    -0.0334     7.9808  Iso=     0.1952
 Eigenvectors:
   (1)   0.826363  -0.563124  -0.003894
   (2)  -0.096617  -0.148587   0.984168
   (3)   0.554787   0.812904   0.177194
 w=    0.088559 a.u., Optical Rotation Beta=      0.1952 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       47.97 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.64D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.21D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.34D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 3.09D-02 2.21D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 1.59D-03 7.22D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 4.27D-05 8.51D-04.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 4.28D-07 9.90D-05.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 4.42D-09 7.93D-06.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 3.17D-11 5.51D-07.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 1.77D-13 5.05D-08.
     10 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 9.48D-15 7.78D-09.
      2 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 2.92D-15 3.62D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.56D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.56D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.36D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228798D+03  0.931989D+01 -0.433528D+01
      2   0.931989D+01  0.141133D+03  0.697285D+01
      3  -0.433528D+01  0.697285D+01  0.153558D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.711067D+01 -0.137152D+01 -0.614149D+01
      2  -0.436243D+02 -0.167976D+02 -0.380930D+02
      3   0.296872D+02  0.563635D+02  0.910141D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.272148D+03 -0.772109D+02 -0.520989D+02
      2   0.147827D+03  0.701355D+02  0.165654D+01
      3   0.124321D+03  0.707541D+01  0.504423D+02
      4  -0.109888D+02 -0.102309D+03 -0.297407D+02
      5  -0.471215D+02 -0.278317D+02 -0.801876D+02
      6  -0.758552D+01 -0.228016D+02  0.196844D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112949D+02  0.245420D+01 -0.929718D+00 -0.313886D+00 -0.604797D-01
      2   0.245420D+01 -0.202754D+00  0.345310D+00 -0.604797D-01 -0.382205D+01
      3  -0.929718D+00  0.345310D+00 -0.219828D+01  0.162903D+01 -0.157584D+01
                 6             7             8             9            10 
      1   0.162903D+01 -0.136143D+02 -0.110757D+01  0.411918D+00 -0.336508D+02
      2  -0.157584D+01 -0.110757D+01 -0.192028D+00  0.127250D+01 -0.355656D+01
      3   0.928130D+00  0.411918D+00  0.127250D+01 -0.173492D+01 -0.293724D+00
                11            12            13            14            15 
      1  -0.355656D+01 -0.293724D+00 -0.802163D+01 -0.521296D+01  0.126908D+01
      2  -0.198422D+01 -0.755166D+00 -0.521296D+01 -0.298850D+01  0.397112D+00
      3  -0.755166D+00 -0.290233D+01  0.126908D+01  0.397112D+00 -0.870102D+00
                16            17            18            19            20 
      1  -0.157814D+01  0.149571D+01 -0.141556D+01 -0.981940D+01 -0.281485D+01
      2   0.149571D+01  0.687437D+00 -0.136987D-01 -0.281485D+01  0.222019D+01
      3  -0.141556D+01 -0.136987D-01  0.159316D+01  0.446174D+00  0.152516D+01
                21            22            23            24            25 
      1   0.446174D+00 -0.965056D+01 -0.241013D+00  0.809691D+00 -0.128887D+02
      2   0.152516D+01 -0.241013D+00 -0.154943D+01 -0.167698D+01 -0.290396D+01
      3   0.170425D+01  0.809691D+00 -0.167698D+01  0.205802D+01  0.312925D+00
                26            27            28            29            30 
      1  -0.290396D+01  0.312925D+00  0.310382D+02  0.480169D+01 -0.175270D+01
      2  -0.135369D+01  0.129028D+01  0.480169D+01  0.267280D+01  0.798034D-01
      3   0.129028D+01 -0.242005D+01 -0.175270D+01  0.798034D-01  0.263650D+01
                31            32            33            34            35 
      1   0.557628D+01  0.594959D+01 -0.162391D+01 -0.124022D+01 -0.113212D+01
      2   0.594959D+01  0.226747D+01 -0.695979D+00 -0.113212D+01 -0.183773D+01
      3  -0.162391D+01 -0.695979D+00  0.168635D+01  0.122624D+01  0.315008D+00
                36            37            38            39            40 
      1   0.122624D+01 -0.137982D+02 -0.317786D+01  0.127774D+01 -0.123974D+01
      2   0.315008D+00 -0.317786D+01  0.835580D-02 -0.385321D+00  0.854505D+00
      3   0.762931D+00  0.127774D+01 -0.385321D+00  0.389783D+01 -0.174644D+01
                41            42            43            44            45 
      1   0.854505D+00 -0.174644D+01  0.156352D+02  0.924622D+00 -0.173378D+01
      2   0.411340D+01  0.194753D+01  0.924622D+00  0.910826D+00 -0.147436D+01
      3   0.194753D+01 -0.915108D+00 -0.173378D+01 -0.147436D+01  0.139187D+01
                46            47            48            49            50 
      1   0.120726D+02  0.281981D+01 -0.718933D+00  0.119772D+02 -0.523491D+00
      2   0.281981D+01 -0.199639D+01 -0.155279D+01 -0.523491D+00  0.117108D+01
      3  -0.718933D+00 -0.155279D+01 -0.264564D+01 -0.342578D+00  0.209984D+01
                51            52            53            54            55 
      1  -0.342578D+00  0.123401D+02  0.260875D+01  0.123338D+01  0.201450D+02
      2   0.209984D+01  0.260875D+01  0.146057D+01 -0.135063D+01 -0.217781D+00
      3  -0.329608D+01  0.123338D+01 -0.135063D+01  0.169611D+01  0.118373D+01
                56            57            58            59            60 
      1  -0.217781D+00  0.118373D+01 -0.509518D+01  0.472508D+01 -0.135450D+01
      2   0.167715D+01 -0.653892D+00  0.472508D+01  0.615426D+01  0.176010D+01
      3  -0.653892D+00  0.211842D+01 -0.135450D+01  0.176010D+01 -0.375871D-01
                61            62            63            64            65 
      1   0.947257D+01 -0.793430D+00  0.421851D+01 -0.448620D+01  0.461745D+01
      2  -0.793430D+00  0.309614D+01  0.110452D+01  0.461745D+01 -0.924614D+00
      3   0.421851D+01  0.110452D+01 -0.469822D+01  0.268134D+00  0.140730D+01
                66            67            68            69            70 
      1   0.268134D+00  0.146022D+02 -0.187207D+01  0.251767D+01 -0.744794D+01
      2   0.140730D+01 -0.187207D+01 -0.503893D+01 -0.203564D+01  0.125223D+01
      3  -0.347579D+01  0.251767D+01 -0.203564D+01  0.432391D+00 -0.549834D+01
                71            72            73            74            75 
      1   0.125223D+01 -0.549834D+01 -0.329761D+01 -0.513333D+01  0.675872D+00
      2  -0.304030D+01  0.812185D-01 -0.513333D+01  0.966499D+00 -0.145280D+01
      3   0.812185D-01  0.638880D+01  0.675872D+00 -0.145280D+01  0.300779D+01
                76            77            78            79            80 
      1  -0.623899D+01  0.130438D+01 -0.182576D+01  0.205045D+01 -0.172940D+01
      2   0.130438D+01  0.216615D+01  0.265545D+01 -0.172940D+01  0.385057D+01
      3  -0.182576D+01  0.265545D+01 -0.967534D+00  0.422419D+01 -0.187395D+01
                81            82            83            84            85 
      1   0.422419D+01 -0.299292D+01 -0.432946D+01 -0.386441D-01 -0.751140D+01
      2  -0.187395D+01 -0.432946D+01  0.533431D+00 -0.180222D+01  0.244571D+01
      3  -0.449998D+01 -0.386441D-01 -0.180222D+01  0.351097D+01 -0.233652D+01
                86            87            88            89            90 
      1   0.244571D+01 -0.233652D+01  0.164916D+01 -0.189252D+01  0.557371D+01
      2   0.530184D+01  0.358377D+01 -0.189252D+01  0.355544D+01  0.366264D+00
      3   0.358377D+01 -0.319429D+00  0.557371D+01  0.366264D+00 -0.328462D+01
                91            92            93            94            95 
      1  -0.676982D+01  0.455646D+00 -0.573096D+00  0.477115D+01 -0.685693D+01
      2   0.455646D+00 -0.294491D+01  0.698330D+00 -0.685693D+01 -0.472082D+00
      3  -0.573096D+00  0.698330D+00 -0.135802D+01  0.134592D+01  0.129374D+01
                96            97            98            99           100 
      1   0.134592D+01  0.292443D+01  0.208041D+01 -0.233600D+01 -0.242808D+01
      2   0.129374D+01  0.208041D+01  0.350682D+01 -0.363904D+01 -0.392414D+00
      3  -0.283504D+01 -0.233600D+01 -0.363904D+01 -0.301952D+01  0.218706D+01
               101           102           103           104           105 
      1  -0.392414D+00  0.218706D+01 -0.333985D+00  0.289510D+01 -0.653631D+00
      2   0.204298D+01 -0.123876D+00  0.289510D+01 -0.318645D+01 -0.182445D+00
      3  -0.123876D+00 -0.104531D+01 -0.653631D+00 -0.182445D+00  0.193306D+01
               106           107           108           109           110 
      1   0.583855D+01 -0.236532D+01 -0.277601D+01  0.533919D+01 -0.121210D+01
      2  -0.236532D+01  0.105360D+01  0.276786D+01 -0.121210D+01  0.346517D+00
      3  -0.277601D+01  0.276786D+01  0.317443D+01 -0.394111D+01  0.321359D+00
               111           112           113           114           115 
      1  -0.394111D+01 -0.372409D+01  0.141689D+01  0.100966D+01 -0.117290D+02
      2   0.321359D+00  0.141689D+01 -0.132781D+01 -0.211560D+01  0.208515D+01
      3   0.226039D+01  0.100966D+01 -0.211560D+01 -0.188047D+01  0.463238D+01
               116           117           118           119           120 
      1   0.208515D+01  0.463238D+01 -0.486646D+00  0.201448D+01  0.125797D+01
      2  -0.325523D+01 -0.169435D+01  0.201448D+01 -0.354467D+01  0.365164D+00
      3  -0.169435D+01 -0.860410D+01  0.125797D+01  0.365164D+00  0.113103D+00
               121           122           123           124           125 
      1   0.187285D+01 -0.381984D+01  0.533281D+00  0.598010D+01 -0.105765D+01
      2  -0.381984D+01  0.426950D+01  0.854809D+00 -0.105765D+01  0.187958D+01
      3   0.533281D+00  0.854809D+00 -0.144383D+00  0.199078D+01 -0.212444D+01
               126           127           128           129           130 
      1   0.199078D+01 -0.204177D+01 -0.118292D+01 -0.164134D+01 -0.163137D+01
      2  -0.212444D+01 -0.118292D+01 -0.990133D+00 -0.111682D+01 -0.961708D+00
      3   0.455278D+01 -0.164134D+01 -0.111682D+01 -0.143000D+01 -0.164824D+01
               131           132           133           134           135 
      1  -0.961708D+00 -0.164824D+01 -0.189226D+01 -0.124297D+01 -0.214664D+01
      2  -0.145806D+01 -0.168902D+01 -0.124297D+01 -0.228092D+01 -0.288249D+01
      3  -0.168902D+01 -0.279548D+01 -0.214664D+01 -0.288249D+01 -0.541939D+01
               136           137           138           139           140 
      1   0.349481D+01 -0.241228D+00 -0.208600D+01 -0.598328D+00  0.257157D+00
      2  -0.241228D+00  0.420673D+00  0.254571D+00  0.257157D+00 -0.479254D+00
      3  -0.208600D+01  0.254571D+00  0.204655D+01  0.608972D+00 -0.509856D+00
               141           142           143           144           145 
      1   0.608972D+00 -0.260579D+01  0.768437D+00  0.284630D+01  0.203579D+01
      2  -0.509856D+00  0.768437D+00 -0.943602D+00 -0.119939D+01  0.131813D+01
      3  -0.158982D+01  0.284630D+01 -0.119939D+01 -0.511761D+01  0.185916D+01
               146           147           148           149           150 
      1   0.131813D+01  0.185916D+01  0.119537D+01  0.822361D+00  0.155875D+01
      2   0.971411D+00  0.117540D+01  0.822361D+00  0.104125D+01  0.156217D+01
      3   0.117540D+01  0.186194D+01  0.155875D+01  0.156217D+01  0.303024D+01
               151           152           153           154           155 
      1   0.177529D+01  0.122124D+01  0.236808D+01 -0.316817D+01  0.298384D+00
      2   0.122124D+01  0.210727D+01  0.284915D+01  0.298384D+00 -0.220614D+00
      3   0.236808D+01  0.284915D+01  0.643856D+01  0.266447D+01 -0.243419D+00
               156           157           158           159           160 
      1   0.266447D+01  0.405548D+00 -0.230775D+00 -0.479656D+00  0.298508D+01
      2  -0.243419D+00 -0.230775D+00  0.271849D+00  0.470039D+00 -0.709423D+00
      3  -0.304551D+01 -0.479656D+00  0.470039D+00  0.167190D+01 -0.346418D+01
               161           162           163           164           165 
      1  -0.709423D+00 -0.346418D+01 -0.243274D+01 -0.114739D+00  0.164395D+01
      2   0.854907D+00  0.117951D+01 -0.114739D+00 -0.687472D+00  0.628673D+00
      3   0.117951D+01  0.669145D+01  0.164395D+01  0.628673D+00 -0.176886D+01
               166           167           168           169           170 
      1   0.200506D+01 -0.671562D+00  0.229771D+00  0.382454D+01  0.842288D+00
      2  -0.671562D+00 -0.921406D+00  0.728064D+00  0.842288D+00  0.119577D+01
      3   0.229771D+00  0.728064D+00 -0.798862D-01 -0.231421D+01 -0.155661D+01
               171           172           173           174           175 
      1  -0.231421D+01 -0.215921D+01 -0.133635D+01 -0.623407D+00 -0.379801D+01
      2  -0.155661D+01 -0.133635D+01 -0.101660D+01  0.383396D-01 -0.307881D+01
      3   0.581768D+01 -0.623407D+00  0.383396D-01 -0.222088D+00 -0.336845D+00
               176           177           178           179           180 
      1  -0.307881D+01 -0.336845D+00 -0.526942D+01 -0.104681D+01 -0.118187D+01
      2  -0.875574D+01 -0.101145D+01 -0.104681D+01 -0.253428D+01 -0.132199D+01
      3  -0.101145D+01 -0.818159D+00 -0.118187D+01 -0.132199D+01 -0.421531D+00
               181           182           183           184           185 
      1   0.220936D+01 -0.793992D+00 -0.124678D+01 -0.175289D+01  0.185852D+00
      2  -0.793992D+00  0.473786D+00 -0.270426D+00  0.185852D+00  0.579491D+00
      3  -0.124678D+01 -0.270426D+00  0.151145D+01 -0.207995D+00 -0.636128D+00
               186           187           188           189           190 
      1  -0.207995D+00 -0.218830D+01 -0.220861D+00  0.112603D+01 -0.138194D+01
      2  -0.636128D+00 -0.220861D+00 -0.103304D+01  0.315486D-01  0.986823D+00
      3   0.136983D+00  0.112603D+01  0.315486D-01 -0.700695D+01  0.140563D+01
               191           192           193           194           195 
      1   0.986823D+00  0.140563D+01  0.440963D+00 -0.518283D+00  0.327395D-01
      2  -0.910043D+00 -0.307320D+00 -0.518283D+00  0.437736D+00  0.598403D+00
      3  -0.307320D+00 -0.194022D+01  0.327395D-01  0.598403D+00  0.240887D+00
               196           197           198           199           200 
      1   0.239415D+01 -0.676459D+00 -0.234623D+01 -0.416912D+01  0.335662D+01
      2  -0.676459D+00  0.170195D+01  0.158260D+01  0.335662D+01 -0.309416D+01
      3  -0.234623D+01  0.158260D+01  0.616462D+01 -0.152940D+01  0.109924D+01
               201           202           203           204           205 
      1  -0.152940D+01  0.285502D+01 -0.316970D+01  0.125192D+01 -0.297485D+01
      2   0.109924D+01 -0.316970D+01  0.442760D+01 -0.187241D+01  0.209293D+01
      3  -0.143646D+01  0.125192D+01 -0.187241D+01  0.130987D+01 -0.207967D+01
               206           207           208           209           210 
      1   0.209293D+01 -0.207967D+01  0.811558D+01  0.176613D+01  0.222291D+00
      2  -0.318802D+01  0.193933D+01  0.176613D+01  0.278549D+01  0.153162D+00
      3   0.193933D+01 -0.169389D+01  0.222291D+00  0.153162D+00  0.438523D+00
               211           212           213           214           215 
      1   0.166027D+01  0.154166D+01  0.141314D+00  0.394283D+00 -0.838253D-02
      2   0.154166D+01  0.206606D+01 -0.162996D+00 -0.838253D-02 -0.377903D+00
      3   0.141314D+00 -0.162996D+00  0.580235D+00  0.723067D-01  0.710694D+00
               216           217           218           219           220 
      1   0.723067D-01 -0.306240D+01 -0.113086D+00  0.176250D+01  0.455095D+00
      2   0.710694D+00 -0.113086D+00 -0.559178D+00  0.373473D+00 -0.101151D+01
      3   0.375680D+00  0.176250D+01  0.373473D+00 -0.196277D+01  0.289133D+00
               221           222           223           224           225 
      1  -0.101151D+01  0.289133D+00  0.475127D+01  0.984985D+00 -0.339932D+01
      2  -0.804516D+00  0.420541D+00  0.984985D+00  0.111209D+01 -0.668113D+00
      3   0.420541D+00 -0.170945D+00 -0.339932D+01 -0.668113D+00  0.530398D+01
               226           227           228           229           230 
      1  -0.158004D+00 -0.738771D+00 -0.361048D+00 -0.257661D+01 -0.269678D+01
      2  -0.738771D+00 -0.356996D+00 -0.305765D-01 -0.269678D+01 -0.792803D+01
      3  -0.361048D+00 -0.305765D-01 -0.392968D+00 -0.777438D+00 -0.256482D+01
               231           232           233           234           235 
      1  -0.777438D+00 -0.123287D+01 -0.662752D+00 -0.137125D+01 -0.661661D+01
      2  -0.256482D+01 -0.662752D+00 -0.268497D+01 -0.174522D+01  0.196030D+01
      3  -0.181633D+01 -0.137125D+01 -0.174522D+01 -0.137507D+01 -0.265650D+01
               236           237           238           239           240 
      1   0.196030D+01 -0.265650D+01  0.569805D+01 -0.216515D+01  0.201494D+01
      2  -0.125389D+01  0.948940D+00 -0.216515D+01  0.159367D+01 -0.147645D+01
      3   0.948940D+00 -0.203873D+01  0.201494D+01 -0.147645D+01  0.163132D+01
               241           242           243           244           245 
      1  -0.482514D+01  0.113629D+01 -0.346158D+01 -0.215144D+00  0.313074D+00
      2   0.113629D+01 -0.158662D+01  0.967724D+00  0.313074D+00  0.716419D+00
      3  -0.346158D+01  0.967724D+00 -0.252767D+01  0.169822D+01  0.355096D+00
               246           247           248           249           250 
      1   0.169822D+01  0.468337D+00  0.132614D+01  0.500602D+00  0.292601D+01
      2   0.355096D+00  0.132614D+01  0.175677D+01  0.120115D+01  0.748580D+00
      3   0.105361D+01  0.500602D+00  0.120115D+01  0.178202D+01  0.172056D+01
               251           252           253           254           255 
      1   0.748580D+00  0.172056D+01 -0.890813D+01 -0.624753D+01  0.111112D+01
      2   0.171974D+01  0.175714D+01 -0.624753D+01  0.179302D+01  0.408094D+00
      3   0.175714D+01  0.516737D+01  0.111112D+01  0.408094D+00  0.955931D+00
               256           257           258           259           260 
      1  -0.175135D+01  0.369150D+01 -0.785631D+00 -0.370966D+01 -0.137246D+01
      2   0.369150D+01 -0.353079D+00 -0.215168D+01 -0.137246D+01 -0.387376D+01
      3  -0.785631D+00 -0.215168D+01  0.309770D+01  0.241693D+01  0.291317D+01
               261           262           263           264           265 
      1   0.241693D+01  0.428567D+01 -0.349253D+01  0.117916D+01 -0.446515D+01
      2   0.291317D+01 -0.349253D+01  0.352854D+01 -0.816279D+00  0.506878D+01
      3   0.254278D+01  0.117916D+01 -0.816279D+00  0.100366D+01 -0.114997D+01
               266           267           268           269           270 
      1   0.506878D+01 -0.114997D+01 -0.103977D+01  0.102247D+01  0.506579D+00
      2  -0.696367D+01  0.141942D+01  0.102247D+01 -0.112534D+01 -0.525180D+00
      3   0.141942D+01 -0.149643D+01  0.506579D+00 -0.525180D+00  0.500518D+00
               271           272           273           274           275 
      1  -0.138967D+01  0.210817D+01  0.855649D-01  0.193266D+01 -0.153678D+01
      2   0.210817D+01 -0.360243D+01  0.300431D+00 -0.153678D+01  0.660307D+01
      3   0.855649D-01  0.300431D+00 -0.769162D+00 -0.612363D-01 -0.352099D-01
               276           277           278           279           280 
      1  -0.612363D-01  0.854859D+00 -0.382714D-01 -0.431336D+00  0.382540D+00
      2  -0.352099D-01 -0.382714D-01  0.162095D+01  0.479681D+00  0.212430D+00
      3   0.652286D+00 -0.431336D+00  0.479681D+00 -0.209708D-01 -0.771973D+00
               281           282           283           284           285 
      1   0.212430D+00 -0.771973D+00 -0.739745D+00 -0.515538D+00  0.902155D-01
      2  -0.493793D+00  0.102489D+00 -0.515538D+00 -0.748653D+00 -0.243412D+00
      3   0.102489D+00 -0.791839D+00  0.902155D-01 -0.243412D+00 -0.131260D+01
               286           287           288           289           290 
      1  -0.168125D+01 -0.370563D+00  0.296556D-01  0.130190D+02  0.561216D+01
      2  -0.370563D+00 -0.144131D+01  0.582400D-01  0.561216D+01  0.362559D+01
      3   0.296556D-01  0.582400D-01 -0.620784D+01 -0.176438D+01 -0.106942D+01
               291           292           293           294           295 
      1  -0.176438D+01  0.352693D+01  0.265868D+01 -0.502329D+00  0.121525D+00
      2  -0.106942D+01  0.265868D+01  0.257648D+01 -0.356249D+00  0.668200D-01
      3   0.130306D+01 -0.502329D+00 -0.356249D+00  0.173985D+00  0.104549D+01
               296           297 
      1   0.668200D-01  0.104549D+01
      2   0.435092D+00  0.403018D+00
      3   0.403018D+00 -0.510383D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.262821D+01  0.913437D+00 -0.287786D+01  0.593632D+01  0.103407D+01
      2  -0.171500D+02  0.185364D+01  0.840276D+01  0.421475D+01 -0.679396D+00
      3  -0.206331D+01 -0.363281D+01 -0.405862D+01  0.136027D+02 -0.247345D+00
                 6             7             8             9            10 
      1  -0.282616D+01 -0.562062D+01  0.255669D+01  0.566684D+00 -0.602542D+01
      2  -0.790289D+00  0.581578D+01 -0.115377D+01 -0.480903D+01  0.204765D+02
      3  -0.345053D+01 -0.278367D+01  0.966940D+00  0.494057D+01  0.115297D+01
                11            12            13            14            15 
      1   0.511222D+00  0.171020D+01  0.947936D+00 -0.525078D+01 -0.779031D+01
      2   0.183011D+01 -0.340103D+01 -0.409227D+00  0.171856D+01 -0.193606D+01
      3   0.159044D+01  0.872194D+00  0.134261D+02 -0.383346D+00 -0.113705D+01
                16            17            18            19            20 
      1   0.956444D+01 -0.138654D+00  0.440858D+01 -0.129258D+01 -0.110255D+01
      2  -0.250839D+02 -0.210066D+01  0.318524D+01  0.120821D+02  0.324897D+01
      3   0.706909D+01 -0.178949D+01 -0.388665D+01 -0.623054D+01 -0.138049D+01
                21            22            23            24            25 
      1   0.102003D+01 -0.761978D+01 -0.385977D+01 -0.207775D+01  0.948049D+00
      2   0.516277D+01  0.973553D+01  0.425591D+01  0.173995D+01  0.445942D+01
      3  -0.454866D+00  0.104923D+02  0.306190D+01  0.238872D+01 -0.708591D+01
                26            27            28            29            30 
      1   0.264115D+01 -0.200033D+01  0.282144D+01  0.296003D+01  0.413881D+01
      2   0.212944D+01  0.169117D+01 -0.174008D+02 -0.458228D+01 -0.122606D+01
      3  -0.355078D+00 -0.215374D+01 -0.212561D+01 -0.603230D+00  0.178473D+01
                31            32            33            34            35 
      1   0.723332D+01 -0.170652D+01 -0.829775D+01  0.686690D+01 -0.204357D+00
      2  -0.844106D+01 -0.564163D+01 -0.216970D+01 -0.269398D+02 -0.279639D+01
      3   0.117523D+02  0.512153D+01 -0.232907D+00  0.354198D+01  0.340037D+01
                36            37            38            39            40 
      1   0.384535D+01 -0.378898D+01  0.221331D+00 -0.117651D+01  0.427216D+01
      2   0.286677D+01  0.593629D+01  0.517573D+01  0.455039D+01  0.491112D+01
      3  -0.299099D+01 -0.151043D+01 -0.247264D+01 -0.338264D+01  0.936062D+01
                41            42            43            44            45 
      1   0.429298D+01 -0.818466D+00 -0.516056D+00  0.282992D+01  0.520611D-01
      2   0.656510D+00  0.400877D-01 -0.133628D+02 -0.307104D+01 -0.198696D+00
      3  -0.960391D+00 -0.387045D+01  0.288444D+01 -0.207743D+01  0.342212D+01
                46            47            48            49            50 
      1   0.498999D+01 -0.266268D+01 -0.846696D+00 -0.707050D+01 -0.968446D+00
      2  -0.777304D+01 -0.225058D+01  0.437280D+01 -0.495854D+01  0.589128D+00
      3  -0.438657D+01 -0.144700D+01 -0.286035D+00  0.967360D+01  0.228077D+01
                51            52            53            54            55 
      1  -0.206125D+01  0.479523D+01  0.388662D+01 -0.661025D+00  0.542715D+01
      2   0.265058D+01 -0.108714D+02 -0.130812D+01 -0.248610D+00 -0.102173D+02
      3   0.354637D+01 -0.703400D+01  0.101331D+01 -0.178376D+01 -0.123698D+02
                56            57            58            59            60 
      1  -0.150044D+01  0.119769D+01 -0.385137D+01  0.697845D+01 -0.133369D+01
      2   0.161995D+01 -0.322122D+01  0.471874D+01 -0.105651D+02 -0.207176D+00
      3   0.354028D+01 -0.282307D+01  0.278365D+02  0.162049D+02  0.775479D+01
                61            62            63            64            65 
      1   0.524632D+01  0.389164D+01 -0.593734D+01 -0.549052D+01  0.485661D+00
      2  -0.280315D+02 -0.357166D+01  0.175201D+02  0.468885D+01 -0.433363D+01
      3  -0.987623D+01  0.102894D+02 -0.207445D+01  0.268343D+02 -0.796866D+01
                66            67            68            69            70 
      1  -0.298329D+00  0.840093D+00  0.121944D+01 -0.162683D+01 -0.464436D+01
      2   0.181097D+02 -0.121097D+02  0.104292D+02  0.592101D+00  0.222383D+02
      3   0.643080D+01 -0.949529D+01 -0.195715D+02 -0.926282D+01  0.125550D+02
                71            72            73            74            75 
      1   0.504750D+01 -0.485273D+00 -0.138449D+00  0.322662D+01 -0.606320D+01
      2  -0.582152D+00 -0.321860D+02 -0.158744D+01  0.768861D+01 -0.104088D+02
      3  -0.118478D+02  0.273309D+01 -0.309205D+02 -0.918683D+01 -0.566175D+01
                76            77            78            79            80 
      1   0.404483D+01 -0.752417D+01  0.652111D+00 -0.834681D+01  0.661506D+01
      2   0.976882D+01 -0.106236D+02  0.439390D+01 -0.195423D+02  0.788643D+01
      3  -0.273875D+01  0.963128D+01  0.765190D+01 -0.674117D+01  0.115451D+02
                81            82            83            84            85 
      1   0.848264D+01  0.239739D+01 -0.128013D+01  0.361286D+01 -0.270318D+01
      2   0.182974D+02 -0.243327D+01  0.771228D+01 -0.186123D+02  0.101738D+02
      3  -0.218536D+01 -0.220182D+02  0.484564D+01 -0.101416D+02  0.238617D+02
                86            87            88            89            90 
      1  -0.194447D+00 -0.336729D+01  0.560682D+01  0.663895D-01 -0.194497D+01
      2  -0.202044D+02 -0.111179D+01 -0.360194D+02 -0.393266D+01  0.209999D+02
      3   0.301131D+02  0.228179D+02 -0.109683D+02  0.213741D+02 -0.216138D+01
                91            92            93            94            95 
      1  -0.225596D+01 -0.730998D+00  0.246330D+01  0.136372D+01 -0.703811D+00
      2   0.152213D+01  0.238140D+01  0.233639D+00  0.264419D+01  0.633053D+01
      3  -0.147974D+02  0.424034D+01 -0.186870D+01  0.367359D+02 -0.318838D+01
                96            97            98            99           100 
      1  -0.627575D+00  0.570120D+01  0.820542D+01  0.246433D+01  0.275850D+01
      2  -0.105412D+02 -0.168266D+02 -0.127245D+02 -0.108951D+02  0.145866D+01
      3  -0.449572D+01 -0.241698D+01 -0.843373D+01  0.957276D+01  0.278268D+02
               101           102           103           104           105 
      1   0.328135D+01 -0.671163D+01 -0.132220D+01  0.105333D+01 -0.346221D+01
      2  -0.833718D+00 -0.356294D+00 -0.755684D+00 -0.208994D+01  0.167339D+02
      3  -0.125410D+02  0.231224D+01 -0.215860D+01 -0.237444D+01 -0.850285D+00
               106           107           108           109           110 
      1  -0.391386D+01 -0.610329D+01  0.178157D+01 -0.223737D+01 -0.337853D+01
      2  -0.971294D+01  0.108270D+02  0.171369D+02 -0.106108D+02  0.952829D+00
      3   0.117148D+02 -0.816560D+01 -0.973236D+01 -0.292384D+01 -0.416792D+01
               111           112           113           114           115 
      1   0.329383D+01 -0.971822D+00  0.109836D+01 -0.329396D+01  0.388528D+00
      2   0.112101D+02 -0.373506D+00 -0.794694D+01 -0.108071D+02  0.792426D+01
      3  -0.599864D+00 -0.639122D+01  0.923447D+01  0.890847D+01 -0.124885D+02
               116           117           118           119           120 
      1   0.838905D+01 -0.614867D+01  0.292351D+01 -0.104126D+01  0.675476D+00
      2  -0.536738D+01 -0.364705D+02  0.547091D+01 -0.188608D+00  0.250801D+01
      3   0.148065D+02  0.783823D+01 -0.100892D+02  0.996790D+01 -0.297459D+01
               121           122           123           124           125 
      1  -0.149412D+01  0.261618D+01 -0.193791D+01 -0.313049D+01  0.732155D+01
      2   0.318263D+01  0.619095D+01 -0.256212D+01  0.923857D+00 -0.577173D+01
      3   0.121065D+02 -0.120328D+02 -0.355750D+01  0.388376D+01 -0.780604D+01
               126           127           128           129           130 
      1   0.491048D+01 -0.490039D+00  0.126635D+01 -0.408332D+00 -0.875182D+00
      2   0.185494D+02 -0.416197D+01 -0.644951D+00 -0.391961D+00 -0.194399D+01
      3   0.687433D+01  0.240186D+01 -0.214182D+00  0.631010D+00  0.324994D+01
               131           132           133           134           135 
      1   0.337135D+00 -0.331718D+01 -0.969179D+00  0.224747D+01 -0.251178D+01
      2   0.184028D+00  0.550144D+00 -0.319173D+01  0.420597D+00  0.213527D+01
      3  -0.101371D+01  0.114943D+00  0.189808D+01 -0.170016D+01 -0.338520D+00
               136           137           138           139           140 
      1  -0.130132D+01 -0.178737D+01  0.178831D+01 -0.328547D+00  0.123415D+00
      2   0.658836D+01 -0.253862D+00 -0.892395D+00  0.940319D+00  0.223844D+00
      3  -0.298684D+01 -0.933858D+00  0.129624D+01  0.523874D+00  0.673630D+00
               141           142           143           144           145 
      1  -0.165084D+01  0.776670D+00  0.300590D+01 -0.108977D+01  0.147260D+01
      2  -0.896951D+00 -0.482681D+01  0.215607D+00 -0.126306D+01 -0.468219D+01
      3  -0.259298D+00  0.173162D+01  0.166286D+01 -0.103871D+01  0.731833D+00
               146           147           148           149           150 
      1   0.241271D+01  0.618067D+00  0.273564D+00  0.129435D+01 -0.154411D+01
      2  -0.152591D+01 -0.979435D+00 -0.283013D+01 -0.687314D+00 -0.450082D+00
      3  -0.786990D+00  0.289441D-01  0.187095D+01 -0.630866D+00 -0.222352D+00
               151           152           153           154           155 
      1   0.691805D+00  0.437806D+01  0.361529D+00  0.138348D+00 -0.199154D+01
      2  -0.391776D+01 -0.514300D+00  0.670432D+00  0.619112D+01 -0.475550D+00
      3   0.603610D+00 -0.225234D+01 -0.964225D+00 -0.115294D+01 -0.131147D+01
               156           157           158           159           160 
      1   0.629339D+00  0.286301D+00  0.539834D+00 -0.109418D+01 -0.136122D+01
      2  -0.898499D+00  0.323012D+00  0.210919D-01 -0.100957D+01 -0.519373D+01
      3   0.520330D+00  0.170664D+01  0.427107D+00  0.172314D+00 -0.514677D-01
               161           162           163           164           165 
      1   0.386559D+01  0.133482D+01  0.175563D+01 -0.330104D+00 -0.196799D+01
      2   0.383553D+00 -0.966713D+00 -0.469721D+01 -0.208635D+01  0.689086D+01
      3   0.187195D+01 -0.517652D+00  0.270011D+01 -0.324364D+01  0.106824D+00
               166           167           168           169           170 
      1   0.844823D+00  0.196765D+00 -0.100968D+01 -0.208210D+01  0.154096D+01
      2  -0.209813D+01 -0.141201D+01 -0.169332D+00  0.150397D+01  0.424269D+01
      3  -0.124452D+01 -0.209067D+01  0.148664D+01 -0.153188D+01  0.367154D+01
               171           172           173           174           175 
      1   0.718989D+01 -0.118210D+01 -0.274203D+00 -0.948926D+00 -0.150991D+01
      2  -0.182337D+02  0.418760D+01  0.697780D+00  0.254587D+01  0.305804D+01
      3  -0.123989D+01 -0.160579D+01 -0.307875D+01  0.421250D+00 -0.272634D+01
               176           177           178           179           180 
      1  -0.490073D+01 -0.419861D+01 -0.202765D+01 -0.189481D+01 -0.139269D+01
      2   0.658859D+01  0.342433D+01  0.456280D+01  0.483449D+01  0.108652D+01
      3  -0.242038D+02 -0.222110D+01  0.161243D+01 -0.756531D+01 -0.239027D+01
               181           182           183           184           185 
      1   0.190977D+01 -0.125918D+01  0.889772D-01 -0.351618D+00 -0.628818D+00
      2   0.104409D+02  0.293469D+00 -0.705168D+01 -0.511007D+00  0.295105D+01
      3  -0.343556D+01  0.123456D+01 -0.685523D+00  0.324726D+01  0.235345D+01
               186           187           188           189           190 
      1  -0.781801D+00 -0.317898D+00  0.318880D+01  0.414858D+00 -0.283761D+01
      2  -0.371227D+00 -0.112516D+02 -0.107492D+00  0.297286D+02 -0.513801D+01
      3  -0.238041D+01 -0.782602D+00 -0.334470D+01  0.182699D+00  0.260795D+01
               191           192           193           194           195 
      1  -0.281913D+00  0.398441D+01  0.936506D-01 -0.104603D+01 -0.173695D+01
      2   0.122833D+01  0.829917D+01 -0.268737D+00 -0.198850D+01 -0.502842D+00
      3  -0.340319D+01  0.594345D+00  0.220054D-01  0.745571D+00  0.192407D+01
               196           197           198           199           200 
      1   0.435110D+01  0.480275D+00 -0.123045D+02  0.284229D+01 -0.161057D+01
      2   0.519127D+01 -0.593938D+01 -0.249062D+02  0.624426D+01 -0.482701D+01
      3   0.162449D+01  0.716949D+01  0.325800D+01  0.662327D+01 -0.970741D+01
               201           202           203           204           205 
      1   0.437473D+01 -0.326732D+01  0.295749D+01 -0.438222D+01  0.414387D+01
      2   0.773567D+01 -0.494233D+01  0.794880D+01 -0.673649D+01  0.743101D+01
      3   0.204340D+01 -0.459867D+01  0.141175D+02 -0.512357D+01  0.309585D+01
               206           207           208           209           210 
      1  -0.178528D+01  0.389932D+01 -0.200518D+01 -0.261960D+00 -0.215644D+01
      2  -0.804530D+01  0.742735D+01 -0.279048D+01 -0.940858D+00 -0.638776D+00
      3  -0.108577D+02  0.481564D+01  0.275049D+02  0.126901D+02  0.145391D+01
               211           212           213           214           215 
      1  -0.828770D+00  0.446133D+00 -0.192407D+01 -0.182482D+01  0.193931D+00
      2  -0.112556D+01  0.390960D+00 -0.923944D+00 -0.360716D+01 -0.218701D+01
      3   0.124070D+02  0.955903D+01 -0.268452D+00  0.168881D+01 -0.132366D+01
               216           217           218           219           220 
      1  -0.113902D+01  0.142214D+01 -0.125201D+00 -0.191681D+01  0.666743D+00
      2  -0.156233D+01 -0.113066D+02 -0.223771D+01  0.134242D+02 -0.164508D+01
      3   0.309780D+01  0.145115D+01 -0.427465D+01  0.747203D+00 -0.410360D+01
               221           222           223           224           225 
      1   0.489326D+00 -0.118473D+01 -0.237111D+01  0.171846D+01  0.416850D+01
      2  -0.252739D+01  0.131393D+01  0.176383D+02  0.385277D+01 -0.326258D+02
      3  -0.360784D+01  0.173256D+01  0.179167D+01  0.659664D+01 -0.894843D+00
               226           227           228           229           230 
      1   0.419320D+00  0.274656D+00 -0.368812D+00  0.822616D+00  0.363269D+01
      2   0.229847D+01 -0.295310D+00  0.243772D+01  0.186543D+01  0.132487D+02
      3  -0.443885D+01 -0.249853D+01 -0.449918D-01 -0.881392D+01 -0.417643D+02
               231           232           233           234           235 
      1  -0.261676D+01 -0.555068D+00  0.155850D+01 -0.653012D+00 -0.294375D+01
      2   0.103958D+02  0.512663D+01  0.917427D+01  0.653797D+01  0.101559D+02
      3  -0.134787D+02 -0.203141D+01 -0.147108D+02 -0.820988D+01  0.144157D+02
               236           237           238           239           240 
      1   0.226984D+01 -0.134366D+01  0.231046D+01 -0.275358D+01  0.701847D+00
      2  -0.412922D+01  0.125818D+02 -0.760982D+01  0.726267D+01 -0.905749D+01
      3  -0.109673D+02  0.706737D+01 -0.134229D+02  0.112357D+02 -0.947437D+01
               241           242           243           244           245 
      1  -0.237553D+01  0.330872D+01 -0.144898D+01 -0.188932D+01 -0.948683D-01
      2   0.149772D+02 -0.479067D+01  0.127989D+02  0.602575D+01  0.147849D+01
      3   0.875447D+01 -0.109789D+02  0.748977D+01 -0.114711D+01 -0.282448D+01
               246           247           248           249           250 
      1  -0.123702D+01 -0.677078D+00 -0.124027D+00 -0.255094D+01 -0.121423D+01
      2   0.346797D+01  0.146033D+01  0.317282D+01  0.585113D+01  0.444176D+00
      3   0.146909D+00 -0.206382D+01 -0.410780D+01 -0.298882D+01  0.468011D-01
               251           252           253           254           255 
      1   0.134773D+01 -0.520377D+01  0.343269D+01 -0.352653D+01 -0.449219D+01
      2   0.519467D+01  0.161545D+02 -0.573201D+01 -0.505188D+01  0.743577D+01
      3  -0.436313D+01 -0.421513D+01  0.251771D+01 -0.208069D+02  0.373150D+00
               256           257           258           259           260 
      1  -0.481488D+00  0.756497D+01 -0.698364D+01 -0.456238D+01 -0.136009D+01
      2  -0.751488D+01 -0.629946D+01  0.108018D+02  0.845241D+01  0.112741D+02
      3  -0.174652D+02  0.696116D+01  0.711234D+01  0.172014D+01  0.112959D+02
               261           262           263           264           265 
      1  -0.112653D+02 -0.224690D+01  0.266754D+01  0.130559D+01  0.383976D+01
      2   0.113077D+02  0.112741D+01 -0.573107D+00  0.391542D+01 -0.779978D+00
      3  -0.687843D+01  0.908584D+01 -0.117958D+02  0.313391D+01 -0.147794D+02
               266           267           268           269           270 
      1  -0.521914D+01 -0.166589D+01  0.259419D+00 -0.175343D+00 -0.107453D+01
      2   0.157476D+01 -0.594274D+01  0.138266D+01 -0.193255D+01  0.773914D+00
      3   0.254904D+02 -0.492012D+01 -0.329653D+01  0.437912D+01  0.170515D+01
               271           272           273           274           275 
      1  -0.263176D+01  0.270426D+01  0.332354D+01  0.194764D+01 -0.609298D+01
      2  -0.165490D+01  0.260560D+01 -0.138869D+01  0.189511D+01 -0.223074D+01
      3  -0.120829D+02  0.141500D+02 -0.263328D-01  0.114129D+02 -0.233152D+02
               276           277           278           279           280 
      1  -0.343679D+01  0.206428D+01 -0.994668D+00 -0.906071D+00  0.251693D+01
      2   0.912315D+00 -0.210766D+01  0.855993D+00 -0.511636D+00 -0.407141D+01
      3  -0.358742D+00  0.244238D+01 -0.484383D+01 -0.260218D+01 -0.480815D+00
               281           282           283           284           285 
      1   0.135203D+01  0.201697D+01  0.127825D+01  0.345819D+01  0.272878D+01
      2  -0.371431D+00 -0.321138D+01 -0.242945D+01 -0.174605D+01 -0.469930D+01
      3   0.146428D+01 -0.137842D+01  0.174697D+01  0.152018D+01  0.718536D+00
               286           287           288           289           290 
      1   0.121643D+01  0.485251D+01  0.144323D+02 -0.109868D+01 -0.130700D+01
      2  -0.425404D+01 -0.743605D+00 -0.202096D+02  0.434559D+01  0.319957D+00
      3  -0.160900D+01  0.350796D+01 -0.421124D+00  0.625156D+01 -0.504248D+01
               291           292           293           294           295 
      1  -0.342770D+01 -0.148264D+01 -0.184506D+01 -0.126494D+01 -0.212753D+01
      2   0.617559D+01  0.185496D+01  0.904314D+00  0.148549D+01  0.226980D+01
      3   0.934717D+00 -0.634239D+00 -0.458183D+01  0.511898D-01  0.382166D-01
               296           297 
      1   0.852012D-01  0.134156D+01
      2   0.691233D+00 -0.160875D+01
      3  -0.113553D+01  0.749400D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.620389D+01 -0.429173D+01 -0.191609D+02  0.123700D+02 -0.123406D+02
      2   0.590768D+00  0.456634D+00  0.336790D+01 -0.178358D+01  0.199396D+02
      3   0.561312D+01  0.383509D+01  0.157930D+02 -0.105864D+02 -0.759902D+01
      4  -0.694379D+01 -0.276166D+01 -0.821987D+01  0.249650D+01 -0.124052D+01
      5  -0.174493D+02 -0.714439D+01  0.594728D+00 -0.760728D+01 -0.232576D+01
      6  -0.101747D+02 -0.386643D+00 -0.893122D+00 -0.350890D+01  0.982049D+00
                 6             7             8             9            10 
      1  -0.442131D+01  0.314993D+02  0.110833D+02  0.139701D+02  0.586633D+02
      2   0.842071D+01 -0.896258D+01 -0.114571D+01 -0.623955D+01 -0.225037D+02
      3  -0.399940D+01 -0.225367D+02 -0.993760D+01 -0.773054D+01 -0.361596D+02
      4  -0.154609D+01  0.572173D+01  0.118962D+01 -0.445862D+01  0.754681D+01
      5  -0.686907D+01  0.136846D+02 -0.393599D+01 -0.390047D+01  0.837772D+01
      6   0.139621D+01 -0.613535D+01 -0.386092D+01 -0.113866D+02  0.164253D+01
                11            12            13            14            15 
      1   0.511897D+01  0.432458D+01  0.184451D+01 -0.275130D+01 -0.577137D+01
      2  -0.201573D+00  0.318825D+01  0.415476D+01  0.798159D+01  0.301635D+01
      3  -0.491739D+01 -0.751283D+01 -0.599927D+01 -0.523030D+01  0.275502D+01
      4   0.517443D+00  0.404513D+01  0.153996D+02  0.441107D+01  0.602580D+00
      5   0.527579D+01  0.680750D+01 -0.816362D+01  0.105686D+01  0.210462D+01
      6   0.878603D+00  0.249947D+01 -0.746151D+01 -0.538317D+01  0.973283D+01
                16            17            18            19            20 
      1   0.998088D+01 -0.663487D+01 -0.145971D+02  0.501136D+01  0.119197D+02
      2  -0.448942D+01 -0.488577D+01  0.382074D+00  0.443882D+01 -0.102219D+02
      3  -0.549145D+01  0.115206D+02  0.142151D+02 -0.945018D+01 -0.169782D+01
      4  -0.117060D+02  0.713475D+00 -0.370697D+00  0.177680D+01  0.548425D+01
      5  -0.117139D+02  0.349709D+00 -0.312917D+01  0.180648D+02  0.290793D+01
      6  -0.217612D+01  0.969552D+00  0.576597D+01  0.731188D+01 -0.212523D+01
                21            22            23            24            25 
      1   0.205706D+02 -0.110314D+02 -0.346545D+01  0.152646D+02 -0.233474D+02
      2  -0.945082D+01 -0.167421D+01  0.620695D+01  0.258935D+00  0.416130D+01
      3  -0.111198D+02  0.127056D+02 -0.274150D+01 -0.155236D+02  0.191861D+02
      4   0.421959D+01  0.638722D+01 -0.714584D+01 -0.697640D+00 -0.257516D+01
      5  -0.534053D+01  0.942668D+01  0.134113D+01  0.139617D+00  0.103718D+02
      6  -0.487329D+01  0.423996D+01  0.114971D+00  0.393680D+01  0.136042D+02
                26            27            28            29            30 
      1   0.380308D+01  0.503827D+01  0.160879D+02  0.226381D+01 -0.472582D+01
      2  -0.472805D+00  0.125670D+01 -0.162141D+01  0.114012D+01 -0.918895D+00
      3  -0.333027D+01 -0.629496D+01 -0.144665D+02 -0.340393D+01  0.564471D+01
      4  -0.982445D+00  0.753138D+01  0.746152D+01  0.501221D+01  0.807221D+00
      5   0.666410D+01  0.588868D+01 -0.390917D+01  0.751549D+00  0.810569D+01
      6   0.684132D+01 -0.805265D+01 -0.862132D+01  0.153134D+01  0.350901D+01
                31            32            33            34            35 
      1  -0.459409D+01 -0.114405D+01 -0.764573D+01  0.253814D+01 -0.491636D+01
      2   0.579720D+01  0.538603D+01  0.252029D+00 -0.619434D+01 -0.813789D+01
      3  -0.120312D+01 -0.424198D+01  0.739370D+01  0.365620D+01  0.130543D+02
      4   0.188255D+02  0.265725D+00 -0.278118D+01 -0.117210D+02 -0.757661D+01
      5  -0.141930D+02 -0.231838D+01  0.255346D+01 -0.129599D+02  0.573526D+00
      6  -0.250562D+01 -0.381124D+01  0.829831D+01 -0.604864D+01  0.280232D+00
                36            37            38            39            40 
      1  -0.188554D+02  0.853842D+01 -0.134377D+01 -0.242799D+02  0.418731D+01
      2   0.395803D+01 -0.878177D+01 -0.162852D+01  0.216409D+01  0.512523D+01
      3   0.148973D+02  0.243342D+00  0.297229D+01  0.221158D+02 -0.931254D+01
      4   0.132304D+01 -0.874643D+01 -0.561104D+01 -0.894235D+01  0.112893D+02
      5   0.116269D+01 -0.510691D+01 -0.617430D+01 -0.512077D+01 -0.490299D+01
      6   0.692211D+01 -0.538662D+01  0.170112D+01 -0.627524D+01 -0.341454D+01
                41            42            43            44            45 
      1  -0.104408D+02  0.399758D+00  0.252514D+02  0.808253D+01  0.774038D+01
      2   0.144389D+02  0.774488D+01 -0.210177D+01  0.423418D+01 -0.543745D+01
      3  -0.399802D+01 -0.814464D+01 -0.231496D+02 -0.123167D+02 -0.230294D+01
      4   0.963086D+00 -0.212764D+01 -0.110410D+01  0.561568D+01 -0.520038D+01
      5  -0.147053D+01 -0.110396D+02  0.613590D+01 -0.606906D+01 -0.353115D+01
      6   0.384106D+01  0.582477D+01 -0.974167D+01 -0.305159D+01 -0.132830D+02
                46            47            48            49            50 
      1  -0.326113D+01  0.766223D+01  0.205339D+02 -0.265395D+02 -0.506030D+01
      2   0.833283D+01 -0.414839D+01 -0.801571D+01  0.900003D+01  0.401638D+01
      3  -0.507170D+01 -0.351384D+01 -0.125182D+02  0.175395D+02  0.104392D+01
      4  -0.223042D+01  0.819843D+01  0.350260D+01  0.103408D+02 -0.367115D+01
      5   0.937654D+01  0.328388D+00 -0.101824D+02  0.264912D+01 -0.289164D+01
      6   0.316124D+01 -0.556922D+01 -0.676366D+01  0.649610D+00 -0.105698D+01
                51            52            53            54            55 
      1   0.192552D+02 -0.338984D+02  0.327162D+01 -0.324122D+01 -0.585684D+02
      2   0.137567D+01  0.486097D+01  0.835014D+00  0.442969D+01  0.241561D+02
      3  -0.206309D+02  0.290374D+02 -0.410663D+01 -0.118847D+01  0.344124D+02
      4  -0.763183D+00 -0.602192D+01 -0.256077D+01  0.508006D+01  0.697096D+01
      5   0.146645D+01 -0.126000D+01  0.483047D+01  0.857109D+01 -0.841165D+01
      6   0.101046D+02  0.960329D+01  0.787462D+01 -0.109886D+02 -0.211243D+01
                56            57            58            59            60 
      1   0.874202D+01 -0.579177D+01  0.512781D+02 -0.160234D+01  0.136647D+02
      2  -0.532158D+01  0.330097D-01 -0.369076D+02 -0.175073D+02 -0.116829D+02
      3  -0.342044D+01  0.575876D+01 -0.143705D+02  0.191097D+02 -0.198184D+01
      4  -0.121627D+02  0.502415D+01 -0.288695D+02 -0.415924D+02 -0.117820D+02
      5   0.452973D+01 -0.163174D+02  0.130816D+02 -0.119409D+02  0.207076D+00
      6   0.100824D+01 -0.368835D+01 -0.486513D+00 -0.691700D+01 -0.911287D+00
                61            62            63            64            65 
      1  -0.413908D+02  0.105009D+02 -0.158904D+02 -0.155326D+02 -0.415602D+02
      2   0.103994D+02 -0.118903D+02  0.133366D+02  0.135060D+02  0.204418D+02
      3   0.309914D+02  0.138943D+01  0.255383D+01  0.202662D+01  0.211183D+02
      4   0.849791D+01 -0.198142D+02 -0.821001D+01 -0.466125D+02  0.650566D+01
      5  -0.351870D+02 -0.777377D+01  0.362768D+02 -0.649349D+01 -0.130103D+02
      6  -0.686698D+01 -0.401940D+01  0.928280D+01 -0.375342D+01 -0.305270D+01
                66            67            68            69            70 
      1  -0.104009D+02 -0.917215D+02  0.134325D+02 -0.156599D+02  0.154748D+02
      2   0.107273D+01  0.488115D+02 -0.830989D+01  0.680317D+01 -0.697644D+01
      3   0.932817D+01  0.429101D+02 -0.512262D+01  0.885678D+01 -0.849837D+01
      4  -0.117107D+02  0.152189D+02  0.420510D+02  0.179142D+02 -0.146174D+02
      5   0.253022D+02 -0.252337D+02  0.189051D+02 -0.187033D+01  0.503998D+02
      6  -0.197005D+01  0.318197D+01 -0.102537D+01 -0.292179D+00 -0.195913D+00
                71            72            73            74            75 
      1  -0.998522D+01  0.491684D+02  0.388729D+02  0.385412D+02 -0.223835D+01
      2   0.267744D+01 -0.149290D+02 -0.314363D+02 -0.168707D+02 -0.434648D+01
      3   0.730778D+01 -0.342394D+02 -0.743668D+01 -0.216705D+02  0.658483D+01
      4   0.220160D+02 -0.106691D+01  0.348555D+02 -0.192274D+02  0.136302D+02
      5  -0.497389D-01 -0.494514D+02 -0.443459D+01  0.139550D+02 -0.250206D+02
      6   0.616129D+01  0.223425D+00  0.799317D+01 -0.441430D+01  0.125338D+02
                76            77            78            79            80 
      1   0.431920D+02 -0.184639D+02  0.664370D+01 -0.742430D+01  0.902799D+01
      2  -0.188745D+02  0.130044D+02  0.387130D+01 -0.585220D+01  0.368481D+01
      3  -0.243175D+02  0.545942D+01 -0.105150D+02  0.132765D+02 -0.127128D+02
      4  -0.255712D+02 -0.136146D+02 -0.251324D+02  0.161142D+02 -0.346059D+02
      5   0.162729D+02 -0.237928D+02  0.818315D+01 -0.378932D+02  0.167529D+02
      6  -0.861172D+01  0.131824D+02 -0.357622D+01  0.143919D+02 -0.830662D+01
                81            82            83            84            85 
      1  -0.283677D+02  0.278506D+02  0.465725D+02  0.143391D+01  0.707471D+02
      2   0.169455D+02 -0.813742D+01 -0.265563D+02  0.274973D+01 -0.416238D+02
      3   0.114222D+02 -0.197132D+02 -0.200161D+02 -0.418365D+01 -0.291233D+02
      4   0.238281D+02  0.505450D+02 -0.491548D+01  0.203996D+02 -0.237099D+02
      5   0.394563D+02 -0.250274D+01  0.224235D+02 -0.405600D+02  0.303053D+02
      6  -0.122986D+02  0.650210D+01 -0.825273D+00 -0.807691D+00 -0.601176D+01
                86            87            88            89            90 
      1  -0.980019D+01  0.292282D+02 -0.738015D+01  0.244481D+02 -0.588228D+02
      2   0.167673D+00 -0.202327D+02  0.694370D+01 -0.173700D+02  0.296702D+02
      3   0.963252D+01 -0.899544D+01  0.436446D+00 -0.707816D+01  0.291526D+02
      4  -0.530103D+02 -0.376194D+02  0.224397D+02 -0.348620D+02 -0.400605D+01
      5  -0.404795D+02  0.402649D+01 -0.661700D+02 -0.248826D+01  0.348984D+02
      6  -0.128700D+02 -0.772518D+01 -0.239429D+01 -0.793964D+01  0.540732D+01
                91            92            93            94            95 
      1   0.707716D+00  0.197062D+02 -0.839570D+01  0.335445D+02 -0.164558D+02
      2  -0.775381D+00 -0.137321D+02  0.537757D+01 -0.202447D+02  0.469031D+01
      3   0.676653D-01 -0.597412D+01  0.301813D+01 -0.132998D+02  0.117655D+02
      4   0.164305D+02 -0.136727D+02  0.186504D+01 -0.478759D+02 -0.747724D+00
      5  -0.631599D+01  0.199535D+01 -0.680077D+01  0.102398D+02  0.621931D+01
      6   0.144384D+01  0.161102D+01 -0.615809D+01  0.658192D+01  0.882259D+01
                96            97            98            99           100 
      1  -0.192844D+01 -0.172700D+00 -0.443623D+01  0.225776D+01 -0.445680D+01
      2   0.375383D+01  0.781603D+01  0.124744D+02 -0.317757D+01  0.578534D+01
      3  -0.182539D+01 -0.764333D+01 -0.803814D+01  0.919809D+00 -0.132854D+01
      4   0.652258D+01  0.115957D+02  0.187282D+02 -0.259233D+02  0.153975D+01
      5  -0.199095D+02 -0.135668D+02 -0.249136D+02 -0.228067D+02  0.159886D+02
      6  -0.113207D+02 -0.142333D+02 -0.132808D+02 -0.775299D+01 -0.120486D+01
               101           102           103           104           105 
      1  -0.660796D+01  0.102302D+02  0.658077D+01  0.209524D+02 -0.314401D+01
      2   0.372140D+01 -0.705626D+01 -0.101720D+02 -0.662738D+01  0.265355D+01
      3   0.288657D+01 -0.317389D+01  0.359128D+01 -0.143250D+02  0.490455D+00
      4   0.119374D+02 -0.197790D+01  0.233549D+02 -0.148758D+02 -0.147629D+00
      5  -0.144947D+01 -0.158892D+02 -0.296632D+01  0.134252D+00  0.309175D+02
      6   0.182436D+00  0.856292D+01 -0.234763D+01  0.200119D+01 -0.670376D+01
               106           107           108           109           110 
      1   0.354489D+02 -0.944904D+01 -0.185374D+02  0.461696D+02 -0.892155D+01
      2  -0.154854D+02 -0.106418D+01  0.158366D+02 -0.267644D+02  0.416049D+01
      3  -0.199636D+02  0.105132D+02  0.270077D+01 -0.194052D+02  0.476106D+01
      4  -0.205773D+02  0.158243D+02  0.230547D+02 -0.154533D+02  0.109944D+02
      5  -0.379015D+02  0.231791D+02  0.278460D+02 -0.384294D+02  0.350370D+01
      6   0.123510D+02 -0.131595D+02 -0.512592D+01  0.754104D+01 -0.328828D+01
               111           112           113           114           115 
      1  -0.276334D+02 -0.157960D+02  0.613400D+00  0.175160D+00 -0.567516D+02
      2   0.184167D+02  0.529359D+01  0.375824D+01 -0.770390D+00  0.318387D+02
      3   0.921674D+01  0.105024D+02 -0.437164D+01  0.595229D+00  0.249129D+02
      4   0.606681D+01  0.185507D+02 -0.152307D+02 -0.179264D+02  0.234483D+02
      5   0.304009D+02  0.101023D+02 -0.185149D+02 -0.206868D+02  0.489479D+02
      6  -0.585590D+01 -0.388373D+01  0.897860D+01  0.142274D+02 -0.794469D+01
               116           117           118           119           120 
      1   0.651330D+01  0.150294D+02  0.302497D+01  0.101747D+02  0.142229D+02
      2  -0.193530D+01 -0.244990D+02 -0.111473D+02  0.341873D+01 -0.104214D+02
      3  -0.457800D+01  0.946960D+01  0.812229D+01 -0.135934D+02 -0.380150D+01
      4  -0.295743D+02 -0.152795D+02  0.189528D+02 -0.258892D+02  0.393637D+00
      5  -0.149072D+02 -0.760174D+02  0.127339D+02  0.389241D+01  0.103713D+02
      6   0.149590D+02  0.196780D+02 -0.521847D+00 -0.199451D+01 -0.131458D+01
               121           122           123           124           125 
      1   0.188828D+02 -0.319417D+02  0.855985D+01  0.283857D+02  0.172769D+01
      2   0.169731D+01  0.841004D+01 -0.517994D+01 -0.167060D+02 -0.256823D+01
      3  -0.205801D+02  0.235317D+02 -0.337991D+01 -0.116796D+02  0.840538D+00
      4  -0.324364D+02  0.378597D+02  0.521263D+01 -0.145801D+02  0.170683D+02
      5   0.281026D+01  0.472927D+01 -0.562041D+01  0.305761D+02 -0.182771D+02
      6  -0.160772D+01 -0.445969D+01  0.855254D+01 -0.857725D+01  0.144403D+02
               126           127           128           129           130 
      1   0.480344D+01  0.277684D+00 -0.295052D+01 -0.199599D+01 -0.787561D+00
      2  -0.137662D+02 -0.948516D+00  0.253083D+01  0.888140D-01  0.546128D-01
      3   0.896280D+01  0.670831D+00  0.419691D+00  0.190717D+01  0.732948D+00
      4  -0.154039D+02  0.432408D+01  0.458228D+01  0.447710D+01  0.412382D+01
      5   0.429830D+02  0.768189D+01  0.484367D+01  0.863282D+01  0.621633D+01
      6  -0.149229D+02  0.541282D+01  0.451018D+01  0.619565D+01  0.516768D+01
               131           132           133           134           135 
      1  -0.757681D+01 -0.868511D+01 -0.387544D+01 -0.116664D+02 -0.198267D+02
      2   0.428901D+01  0.115665D+01 -0.116058D+01  0.475503D+01 -0.221727D-01
      3   0.328780D+01  0.752846D+01  0.503602D+01  0.691132D+01  0.198489D+02
      4   0.537235D+01  0.420062D+01  0.427163D+01  0.427544D+01  0.494274D+01
      5   0.581615D+01  0.836563D+01  0.973377D+01  0.666058D+01  0.144167D+02
      6   0.904541D+01  0.104292D+02  0.679687D+01  0.128916D+02  0.179746D+02
               136           137           138           139           140 
      1   0.373950D+01 -0.685361D-01  0.199303D+01  0.132186D+01 -0.225561D+01
      2  -0.539872D+01  0.631408D+00  0.356379D+01  0.746669D+00  0.427934D+00
      3   0.165922D+01 -0.562872D+00 -0.555683D+01 -0.206853D+01  0.182767D+01
      4  -0.431475D+01  0.304291D+01  0.256017D+01  0.282328D+01 -0.166277D+01
      5  -0.951747D+01  0.142327D+01  0.921815D+01  0.253414D+01 -0.236017D+01
      6   0.101735D+01 -0.187553D+01 -0.122556D+01 -0.202992D+01  0.242247D+01
               141           142           143           144           145 
      1  -0.480156D+01  0.423782D+01 -0.376248D+01 -0.144964D+02 -0.309048D+01
      2  -0.813197D+00  0.390576D+01  0.438248D+00 -0.689679D+01 -0.230017D+01
      3   0.561476D+01 -0.814359D+01  0.332424D+01  0.213932D+02  0.539065D+01
      4  -0.233907D+01  0.471019D+01 -0.447455D+01 -0.628283D+01  0.462694D+01
      5  -0.244536D+01  0.112651D+02 -0.310414D+01 -0.154229D+02  0.102369D+02
      6   0.378779D+01 -0.364420D+01  0.548015D+01  0.720288D+01  0.626796D+01
               146           147           148           149           150 
      1  -0.361726D+01 -0.513872D+01 -0.395546D+01 -0.791395D+01 -0.126270D+02
      2   0.828174D+00 -0.204564D+01 -0.127627D+01  0.152363D+01 -0.158489D+01
      3   0.278908D+01  0.718437D+01  0.523173D+01  0.639031D+01  0.142119D+02
      4   0.444896D+01  0.423102D+01  0.313589D+01  0.359335D+01  0.342905D+01
      5   0.597468D+01  0.119054D+02  0.672114D+01  0.557776D+01  0.982000D+01
      6   0.524760D+01  0.700081D+01  0.474981D+01  0.843070D+01  0.108703D+02
               151           152           153           154           155 
      1  -0.810960D+01 -0.128847D+02 -0.269749D+02 -0.119732D+00 -0.602990D+00
      2  -0.253918D+01  0.106289D+01 -0.700202D+01 -0.860114D+01  0.121704D+01
      3   0.106488D+02  0.118218D+02  0.339770D+02  0.872088D+01 -0.614052D+00
      4   0.390906D+01  0.384816D+01  0.409024D+01 -0.364666D+01  0.308550D+01
      5   0.112078D+02  0.732326D+01  0.179555D+02 -0.160275D+02  0.196802D+01
      6   0.735364D+01  0.133249D+02  0.198301D+02  0.643794D+00 -0.242458D+01
               156           157           158           159           160 
      1   0.457056D+01  0.453415D+01 -0.241336D+01 -0.653805D+01  0.419015D+01
      2   0.892051D+01 -0.426350D+00 -0.360298D+00 -0.250685D+01  0.974586D+01
      3  -0.134911D+02 -0.410780D+01  0.277365D+01  0.904490D+01 -0.139360D+02
      4   0.303637D+01  0.836960D+00 -0.120766D+01 -0.293510D+01  0.496021D+01
      5   0.171514D+02  0.199655D+01 -0.287759D+01 -0.377259D+01  0.174950D+02
      6  -0.214428D+00 -0.189984D+01  0.231969D+01  0.374332D+01 -0.321368D+01
               161           162           163           164           165 
      1  -0.356191D+01 -0.211604D+02  0.150304D+02 -0.440615D+00 -0.757672D+01
      2  -0.118640D+01 -0.157636D+02 -0.112773D+02  0.457082D+00  0.621648D+01
      3   0.474832D+01  0.369240D+02 -0.375308D+01 -0.164669D-01  0.136023D+01
      4  -0.417810D+01 -0.626231D+01  0.353224D+01  0.720917D+01 -0.620117D+01
      5  -0.414786D+01 -0.256338D+02 -0.158275D+02 -0.554515D+01  0.182841D+02
      6   0.578009D+01  0.634173D+01 -0.367930D+01 -0.249450D+01  0.402759D+01
               166           167           168           169           170 
      1  -0.932402D+01 -0.141265D+01  0.115187D+01 -0.144906D+02  0.109624D+01
      2   0.520997D+01  0.195372D+01 -0.782274D+00  0.121972D+02  0.551220D+00
      3   0.411405D+01 -0.541068D+00 -0.369595D+00  0.229343D+01 -0.164746D+01
      4   0.542628D+01  0.602273D+01 -0.504370D+01 -0.869153D+01 -0.901721D+01
      5  -0.165405D+01 -0.549121D+01  0.237906D+00  0.221435D+02  0.112919D+02
      6  -0.220522D+01 -0.215125D+01  0.529130D+01  0.683323D+01  0.772116D+01
               171           172           173           174           175 
      1  -0.413706D+01  0.886241D+01  0.660388D+01  0.355612D+01  0.875174D+01
      2  -0.113373D+02  0.362093D+00 -0.135853D+01 -0.121720D+01  0.584068D+01
      3   0.154743D+02 -0.922450D+01 -0.524535D+01 -0.233891D+01 -0.145924D+02
      4   0.111930D+02  0.100162D+02  0.140258D+02  0.491208D+00  0.263353D+02
      5  -0.428366D+02  0.454548D+01 -0.112186D+00  0.407099D+01  0.158661D+01
      6  -0.144896D+02  0.151486D+01  0.313816D-01  0.630655D+00  0.142597D+01
               176           177           178           179           180 
      1  -0.167160D+02 -0.159126D+01  0.183992D+02 -0.333737D+01 -0.131078D+00
      2   0.386072D+02  0.423852D+01 -0.450178D+01  0.815167D+01  0.185619D+01
      3  -0.218911D+02 -0.264725D+01 -0.138974D+02 -0.481430D+01 -0.172512D+01
      4   0.547258D+02  0.627813D+01  0.787576D+01  0.169864D+02  0.833855D+01
      5   0.569728D+01  0.548536D+01  0.925560D+01  0.813608D+01  0.236819D+01
      6   0.301013D+01  0.547393D+01  0.343581D+01  0.756351D+01  0.270768D+01
               181           182           183           184           185 
      1  -0.125389D+02  0.501925D+01  0.131667D+02  0.110869D+02 -0.739001D+01
      2   0.195422D+01 -0.225591D+01 -0.232750D+01 -0.545707D+01  0.323007D+01
      3   0.105847D+02 -0.276334D+01 -0.108392D+02 -0.562983D+01  0.415994D+01
      4   0.601549D+01 -0.207791D+01  0.166891D+01  0.134934D+01 -0.493710D+01
      5   0.680484D+01  0.154884D+01 -0.579541D+01  0.138685D+01  0.306219D+01
      6  -0.416222D+00 -0.306863D+00  0.429750D+00 -0.145586D+01  0.121928D-01
               186           187           188           189           190 
      1   0.236564D+01  0.232529D+02  0.352775D+01 -0.295917D+02  0.121119D+02
      2  -0.108043D+01 -0.852445D+01 -0.205674D+01 -0.679813D+01 -0.642675D+01
      3  -0.128521D+01 -0.147285D+02 -0.147101D+01  0.363899D+02 -0.568519D+01
      4   0.338240D+01  0.266993D+01  0.693070D+01 -0.339575D-01 -0.114989D+02
      5  -0.800541D+00 -0.323682D+01  0.264287D+00  0.476545D+02 -0.156560D+02
      6   0.727238D+01  0.236328D+00  0.353873D+01 -0.128240D+01  0.393298D+01
               191           192           193           194           195 
      1  -0.600996D+01 -0.118719D+02 -0.915003D+00  0.153662D+01 -0.248772D+01
      2   0.126315D+01  0.851659D+01 -0.108394D+01 -0.100414D+00  0.256353D+01
      3   0.474681D+01  0.335535D+01  0.199894D+01 -0.143621D+01 -0.758087D-01
      4   0.110659D+02  0.614197D+01  0.729279D+01 -0.431926D+01 -0.539737D+01
      5   0.361455D+01  0.202662D+02 -0.559964D+00 -0.539469D+01 -0.182734D+01
      6  -0.162518D+01 -0.678132D+01 -0.164387D+01  0.168595D+01  0.616496D+01
               196           197           198           199           200 
      1  -0.182241D+02 -0.112847D+01  0.831941D+01  0.317696D+02 -0.203354D+02
      2   0.122184D+02  0.294108D+01 -0.143631D+02 -0.740767D+01  0.562668D+00
      3   0.600578D+01 -0.181261D+01  0.604372D+01 -0.243619D+02  0.197727D+02
      4   0.114615D+02 -0.152392D+02 -0.184755D+02 -0.395560D+02  0.366632D+02
      5   0.252404D+02 -0.142776D+02 -0.546667D+02  0.157740D+02 -0.107995D+02
      6  -0.903424D+01  0.887177D+01  0.208464D+02 -0.789056D+01  0.683010D+01
               201           202           203           204           205 
      1   0.107447D+02 -0.183619D+02  0.997578D+01 -0.371414D+01  0.192235D+02
      2  -0.268538D+01 -0.907948D+00  0.118886D+02 -0.355707D+01 -0.573998D+01
      3  -0.805934D+01  0.192698D+02 -0.218644D+02  0.727121D+01 -0.134836D+02
      4  -0.135342D+02  0.371466D+02 -0.451546D+02  0.183719D+02 -0.243911D+02
      5   0.154054D+02 -0.115321D+02  0.163304D+02 -0.121287D+02  0.209578D+02
      6  -0.768947D+01  0.787246D+01 -0.114212D+02  0.900827D+01 -0.103183D+02
               206           207           208           209           210 
      1  -0.651677D+01  0.944149D+01 -0.562204D+02 -0.246032D+02 -0.125510D+01
      2  -0.432990D+01 -0.387354D+01  0.329332D+02  0.211368D+02  0.100446D+01
      3   0.108467D+02 -0.556795D+01  0.232871D+02  0.346643D+01  0.250638D+00
      4   0.308368D+02 -0.202958D+02  0.431902D+01 -0.105499D+02 -0.187009D+01
      5  -0.172378D+02  0.161833D+02 -0.169483D+01 -0.270057D+01 -0.142787D+01
      6   0.118538D+02 -0.100320D+02 -0.171248D+01 -0.648401D+00  0.234877D+01
               211           212           213           214           215 
      1  -0.197595D+02 -0.186767D+02 -0.114548D+01 -0.181086D+01  0.232802D+00
      2   0.159060D+02  0.180817D+02  0.156391D-02  0.174236D+01 -0.538655D+00
      3   0.385351D+01  0.595085D+00  0.114391D+01  0.685011D-01  0.305854D+00
      4   0.405320D+00 -0.631694D+01  0.182598D+01 -0.314295D+00  0.330746D+01
      5  -0.136051D+01  0.114601D+01 -0.227953D+01  0.283201D+01 -0.421139D+01
      6   0.893152D+00 -0.606544D+00  0.334796D+01  0.126321D+01  0.442951D+01
               216           217           218           219           220 
      1  -0.343704D+01  0.401789D+02  0.137923D+01 -0.228006D+02 -0.502728D+01
      2   0.164104D+01 -0.216756D+02  0.141625D+00  0.109008D+02  0.405275D+01
      3   0.179600D+01 -0.185033D+02 -0.152086D+01  0.118997D+02  0.974531D+00
      4  -0.426931D+01  0.327692D+01  0.798316D+01 -0.558287D+01  0.129693D+02
      5  -0.406646D+01 -0.222113D+02 -0.483008D+01  0.263590D+02 -0.382443D+01
      6   0.112981D+01 -0.304086D+01 -0.315384D+00  0.283045D+01 -0.126081D+01
               221           222           223           224           225 
      1   0.775925D+01 -0.373101D+01 -0.547134D+02 -0.955245D+01  0.346987D+02
      2  -0.262289D+01  0.160643D+01  0.285049D+02  0.413186D+01 -0.214001D+02
      3  -0.513636D+01  0.212458D+01  0.262086D+02  0.542058D+01 -0.132986D+02
      4   0.894688D+01 -0.532183D+01 -0.127123D+02 -0.135992D+02  0.777724D+01
      5  -0.471533D+01  0.203243D+01  0.427720D+02  0.739685D+01 -0.615102D+02
      6   0.266216D+00  0.415087D+01  0.400547D+01  0.414187D+01 -0.748713D+01
               226           227           228           229           230 
      1   0.336200D+01  0.916386D+01  0.483349D+01  0.237401D+02  0.593791D+01
      2  -0.685582D-01 -0.357440D+01 -0.229275D+01 -0.799497D+01  0.131292D+02
      3  -0.329344D+01 -0.558946D+01 -0.254073D+01 -0.157451D+02 -0.190671D+02
      4   0.827938D+01  0.959113D+01  0.192221D+01  0.337556D+02  0.826481D+02
      5   0.476472D+01  0.220397D+01  0.633632D+01  0.105655D+02  0.283093D+02
      6   0.238893D+01  0.869448D+00  0.284618D+00  0.615470D+01  0.175351D+02
               231           232           233           234           235 
      1  -0.632392D+00  0.112536D+02 -0.168030D+01  0.680351D+01  0.825741D+02
      2   0.210006D+01 -0.627456D+01  0.258710D+01 -0.469781D+01 -0.471407D+02
      3  -0.146767D+01 -0.497902D+01 -0.906800D+00 -0.210570D+01 -0.354333D+02
      4   0.269454D+02  0.849574D+01  0.278701D+02  0.175948D+02 -0.231810D+02
      5   0.204159D+02  0.174522D+02  0.183500D+02  0.145070D+02  0.387907D+02
      6   0.110605D+02  0.377283D+01  0.112701D+02  0.736823D+01 -0.334656D+01
               236           237           238           239           240 
      1  -0.232740D+02  0.296364D+02 -0.586622D+02  0.193349D+02 -0.190804D+02
      2   0.137027D+02 -0.194829D+02  0.328498D+02 -0.960262D+01  0.135548D+02
      3   0.957125D+01 -0.101535D+02  0.258124D+02 -0.973227D+01  0.552559D+01
      4   0.177841D+02 -0.110531D+02  0.275376D+02 -0.199576D+02  0.173086D+02
      5  -0.129793D+02  0.300204D+02 -0.275826D+02  0.182201D+02 -0.211345D+02
      6   0.205629D+01 -0.498517D+00  0.497543D+01 -0.362194D+01  0.436536D+01
               241           242           243           244           245 
      1   0.490555D+02 -0.116676D+02  0.311304D+02  0.268053D+01  0.573047D+00
      2  -0.318283D+02  0.915141D+01 -0.239115D+02 -0.350154D+01  0.219082D-01
      3  -0.172272D+02  0.251617D+01 -0.721888D+01  0.821006D+00 -0.594955D+00
      4  -0.135535D+02  0.185446D+02 -0.111226D+02  0.513828D+01  0.750236D+01
      5   0.461152D+02 -0.123283D+02  0.328339D+02  0.131172D+02  0.418151D+01
      6  -0.199994D+01  0.489054D+01 -0.311868D+01  0.591252D+01  0.151012D+01
               246           247           248           249           250 
      1   0.795162D+01 -0.813842D+00 -0.942608D+00 -0.114760D+01  0.101899D+02
      2  -0.481130D+01  0.154502D+01  0.310334D+01  0.152299D+01 -0.753452D+01
      3  -0.314032D+01 -0.731178D+00 -0.216073D+01 -0.375386D+00 -0.265538D+01
      4   0.461918D+01  0.112581D+02  0.114482D+02  0.839262D+01  0.668910D+01
      5   0.113404D+02  0.511546D+01  0.872601D+01  0.121869D+02  0.159482D+02
      6   0.330031D+01  0.312209D+01  0.603265D+01  0.959752D+01  0.536704D+01
               251           252           253           254           255 
      1  -0.333415D+01 -0.402359D+01 -0.456207D+02 -0.502137D+02  0.914418D+01
      2   0.144023D+01 -0.675825D+01  0.290439D+01  0.344687D+02  0.132379D+01
      3   0.189393D+01  0.107818D+02  0.427163D+02  0.157451D+02 -0.104680D+02
      4   0.120377D+02  0.132104D+02 -0.642027D+02 -0.106423D+02  0.619337D+01
      5   0.127506D+02  0.354365D+02  0.146738D+02  0.979508D+01  0.626192D+01
      6   0.867748D+01  0.160171D+02  0.677309D+01  0.532815D+00  0.336755D+01
               256           257           258           259           260 
      1  -0.378385D+02  0.133892D+02  0.130640D+02 -0.273731D+01  0.153017D+02
      2   0.301857D+02 -0.174165D+02 -0.528425D+01  0.224231D+01 -0.135876D+02
      3   0.765286D+01  0.402731D+01 -0.777977D+01  0.494994D+00 -0.171416D+01
      4   0.550261D+01  0.676183D+01 -0.992543D+01 -0.576643D+01 -0.184218D+02
      5   0.155698D+01 -0.151218D+02  0.163074D+02  0.147755D+02  0.163202D+02
      6  -0.698555D+01 -0.101433D+02  0.141713D+02  0.115450D+02  0.165099D+02
               261           262           263           264           265 
      1   0.894570D+01  0.348108D+02 -0.252624D+02  0.657548D+01 -0.282778D+02
      2   0.143833D+02 -0.934415D+01  0.485886D+01 -0.244065D+01  0.163092D+01
      3  -0.233290D+02 -0.254666D+02  0.204035D+02 -0.413483D+01  0.266469D+02
      4   0.216404D+02 -0.381025D+02  0.358029D+02 -0.806148D+01  0.499091D+02
      5   0.140416D+02  0.132194D+02 -0.938802D+01  0.923389D+01 -0.131365D+02
      6   0.364412D+01 -0.492215D+01  0.459020D+01 -0.252889D+01  0.616656D+01
               266           267           268           269           270 
      1   0.225506D+02 -0.498000D+01 -0.740808D+01  0.681117D+01  0.166944D+01
      2   0.813578D+01  0.746661D+00 -0.658209D+00  0.146923D+01 -0.302456D+00
      3  -0.306863D+02  0.423334D+01  0.806629D+01 -0.828039D+01 -0.136699D+01
      4  -0.630520D+02  0.126253D+02  0.103009D+02 -0.113785D+02 -0.502358D+01
      5   0.147691D+02 -0.126255D+02  0.507908D+01 -0.465072D+01  0.388778D+01
      6  -0.919273D+01  0.559247D+01 -0.235186D+01  0.350056D+01 -0.154128D+01
               271           272           273           274           275 
      1  -0.122375D+02  0.272490D+02 -0.194542D+01  0.180333D+02 -0.371687D+02
      2   0.148869D+02 -0.299507D+02  0.108638D-01 -0.166040D+02  0.518535D+02
      3  -0.264939D+01  0.270173D+01  0.193456D+01 -0.142935D+01 -0.146848D+02
      4   0.290546D+01 -0.537441D+01  0.123809D+01  0.404598D+01  0.217228D+02
      5   0.261190D+01 -0.260923D+01 -0.316527D+01 -0.398825D+01  0.419086D+01
      6  -0.125887D+01  0.417917D+01 -0.473076D+01  0.141512D+01 -0.620666D+01
               276           277           278           279           280 
      1   0.143812D+00  0.379763D+01 -0.625152D+01 -0.636731D+01  0.153250D+01
      2   0.537306D+00 -0.257022D+01  0.948680D+01  0.422123D+01 -0.234991D+01
      3  -0.681119D+00 -0.122741D+01 -0.323528D+01  0.214608D+01  0.817413D+00
      4  -0.255232D+00  0.136005D+01  0.769148D+01 -0.725347D+00  0.300008D+01
      5   0.257823D+01 -0.124249D+01  0.181509D+01  0.514956D+00 -0.402022D+01
      6   0.561012D+01 -0.286019D+01  0.501798D+01  0.662366D+00 -0.189880D+01
               281           282           283           284           285 
      1   0.493722D+01 -0.786046D+01 -0.862313D+00 -0.313672D+01 -0.290839D+01
      2  -0.451592D+01  0.102443D+01 -0.121599D+01 -0.209628D+00 -0.352131D+01
      3  -0.421302D+00  0.683603D+01  0.207830D+01  0.334635D+01  0.642971D+01
      4   0.427086D+00 -0.240411D+01 -0.149110D+01 -0.594910D+01 -0.173828D+01
      5  -0.433334D+00 -0.625725D+00  0.112593D+01 -0.685547D+00 -0.758557D+01
      6   0.145234D+01 -0.294199D+01  0.109727D+01  0.141876D+01 -0.911568D+00
               286           287           288           289           290 
      1  -0.882340D+01  0.166725D+01 -0.185167D+02  0.810573D+02  0.269036D+02
      2   0.324452D+01 -0.560227D+01 -0.148670D+02 -0.247741D+02 -0.103682D+01
      3   0.557888D+01  0.393501D+01  0.333838D+02 -0.562831D+02 -0.258668D+02
      4  -0.636888D+01 -0.879198D+01 -0.310705D+01  0.722949D+02  0.421532D+02
      5   0.552363D+01  0.406366D+00 -0.332389D+02 -0.230897D+02 -0.109682D+02
      6   0.439766D+00  0.453894D+01 -0.197697D+02 -0.951909D+01 -0.737582D+01
               291           292           293           294           295 
      1  -0.619703D+01  0.179594D+02  0.949848D+01 -0.192423D+01  0.126904D+01
      2   0.246246D+01  0.771814D+00  0.671046D+01  0.114434D+00  0.116882D+01
      3   0.373457D+01 -0.187313D+02 -0.162089D+02  0.180979D+01 -0.243786D+01
      4  -0.100029D+02  0.330346D+02  0.262133D+02 -0.386778D+01  0.179367D+00
      5   0.137352D+02 -0.698815D+01 -0.385037D+01  0.356704D+01  0.120165D+02
      6   0.768958D+01 -0.470826D+01 -0.426217D+01  0.298776D+01  0.605694D+01
               296           297 
      1  -0.978324D+00  0.558669D+01
      2   0.205059D+01 -0.424642D+01
      3  -0.107226D+01 -0.134027D+01
      4   0.159256D+01  0.591300D+01
      5   0.462739D+01 -0.500621D+01
      6   0.322247D+01 -0.249979D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 15:56:12 2021, MaxMem=  6442450944 cpu:           91692.4 elap:           11464.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20209 -19.14616 -10.32337 -10.21179 -10.20092
 Alpha  occ. eigenvalues --  -10.19481 -10.19086 -10.19004 -10.18892 -10.18820
 Alpha  occ. eigenvalues --  -10.18811 -10.18366 -10.18261 -10.17410 -10.17059
 Alpha  occ. eigenvalues --   -1.12097  -1.03176  -0.87508  -0.82917  -0.80401
 Alpha  occ. eigenvalues --   -0.75434  -0.75051  -0.69032  -0.68791  -0.67567
 Alpha  occ. eigenvalues --   -0.61961  -0.60892  -0.57680  -0.56457  -0.51711
 Alpha  occ. eigenvalues --   -0.51102  -0.49300  -0.47336  -0.47009  -0.45205
 Alpha  occ. eigenvalues --   -0.45107  -0.44306  -0.42960  -0.42451  -0.41945
 Alpha  occ. eigenvalues --   -0.41816  -0.39095  -0.38686  -0.38261  -0.37519
 Alpha  occ. eigenvalues --   -0.36713  -0.36434  -0.35155  -0.34401  -0.33435
 Alpha  occ. eigenvalues --   -0.33363  -0.32942  -0.32539  -0.28870  -0.26064
 Alpha  occ. eigenvalues --   -0.24524
 Alpha virt. eigenvalues --   -0.02664  -0.01916  -0.01299  -0.00781  -0.00045
 Alpha virt. eigenvalues --    0.00061   0.00527   0.01051   0.01459   0.01822
 Alpha virt. eigenvalues --    0.02644   0.03209   0.03376   0.03587   0.03910
 Alpha virt. eigenvalues --    0.04681   0.05305   0.05620   0.05922   0.06230
 Alpha virt. eigenvalues --    0.06707   0.07389   0.07805   0.07896   0.08221
 Alpha virt. eigenvalues --    0.08420   0.08688   0.08865   0.09089   0.09327
 Alpha virt. eigenvalues --    0.09528   0.09938   0.10255   0.10704   0.10835
 Alpha virt. eigenvalues --    0.11079   0.11116   0.11532   0.11961   0.12272
 Alpha virt. eigenvalues --    0.12516   0.12690   0.12841   0.13329   0.13413
 Alpha virt. eigenvalues --    0.13809   0.14061   0.14421   0.14974   0.15039
 Alpha virt. eigenvalues --    0.15135   0.15468   0.15966   0.16438   0.16545
 Alpha virt. eigenvalues --    0.16819   0.17501   0.17953   0.18106   0.18462
 Alpha virt. eigenvalues --    0.19051   0.19213   0.19542   0.20364   0.20576
 Alpha virt. eigenvalues --    0.20667   0.21288   0.21788   0.21940   0.22310
 Alpha virt. eigenvalues --    0.22787   0.22962   0.23196   0.23423   0.23649
 Alpha virt. eigenvalues --    0.23928   0.24461   0.24825   0.24912   0.24986
 Alpha virt. eigenvalues --    0.25770   0.26056   0.26073   0.26564   0.26665
 Alpha virt. eigenvalues --    0.26978   0.27627   0.28231   0.28373   0.28582
 Alpha virt. eigenvalues --    0.29111   0.29719   0.30486   0.30538   0.30819
 Alpha virt. eigenvalues --    0.31298   0.31592   0.32107   0.32694   0.33212
 Alpha virt. eigenvalues --    0.33600   0.33918   0.34107   0.34921   0.35068
 Alpha virt. eigenvalues --    0.35207   0.35612   0.35769   0.35953   0.36654
 Alpha virt. eigenvalues --    0.37154   0.37240   0.37678   0.38031   0.38182
 Alpha virt. eigenvalues --    0.38384   0.38565   0.39135   0.39903   0.39965
 Alpha virt. eigenvalues --    0.40333   0.41050   0.41361   0.41822   0.42026
 Alpha virt. eigenvalues --    0.42376   0.43278   0.43487   0.43933   0.44657
 Alpha virt. eigenvalues --    0.44941   0.45137   0.45486   0.45933   0.46618
 Alpha virt. eigenvalues --    0.46793   0.47153   0.48209   0.48563   0.49053
 Alpha virt. eigenvalues --    0.49354   0.49900   0.50165   0.50630   0.51408
 Alpha virt. eigenvalues --    0.51461   0.51950   0.52323   0.52889   0.53366
 Alpha virt. eigenvalues --    0.53691   0.54113   0.54355   0.55031   0.55594
 Alpha virt. eigenvalues --    0.55897   0.56274   0.56929   0.57092   0.57340
 Alpha virt. eigenvalues --    0.57663   0.58127   0.59062   0.59258   0.59413
 Alpha virt. eigenvalues --    0.60017   0.60327   0.60546   0.61347   0.62004
 Alpha virt. eigenvalues --    0.62362   0.62686   0.62998   0.63000   0.64022
 Alpha virt. eigenvalues --    0.64386   0.64706   0.65011   0.65235   0.66172
 Alpha virt. eigenvalues --    0.66876   0.66953   0.67251   0.67549   0.68008
 Alpha virt. eigenvalues --    0.68171   0.68781   0.69416   0.69777   0.69935
 Alpha virt. eigenvalues --    0.70820   0.71170   0.71353   0.72087   0.72678
 Alpha virt. eigenvalues --    0.73518   0.73943   0.74394   0.74669   0.74744
 Alpha virt. eigenvalues --    0.75815   0.76066   0.76805   0.77167   0.77643
 Alpha virt. eigenvalues --    0.77754   0.78579   0.79165   0.79587   0.80393
 Alpha virt. eigenvalues --    0.80785   0.81372   0.81577   0.82318   0.82825
 Alpha virt. eigenvalues --    0.83176   0.83594   0.84182   0.85327   0.85610
 Alpha virt. eigenvalues --    0.86291   0.86759   0.87420   0.88054   0.88818
 Alpha virt. eigenvalues --    0.90005   0.90860   0.91578   0.92309   0.92696
 Alpha virt. eigenvalues --    0.93382   0.93718   0.94498   0.95805   0.97478
 Alpha virt. eigenvalues --    0.98429   0.98608   0.98737   1.00136   1.00326
 Alpha virt. eigenvalues --    1.01136   1.02385   1.03247   1.04109   1.04904
 Alpha virt. eigenvalues --    1.06414   1.07003   1.07602   1.08236   1.09246
 Alpha virt. eigenvalues --    1.09995   1.11050   1.11380   1.12655   1.13888
 Alpha virt. eigenvalues --    1.14426   1.15620   1.16843   1.17101   1.17802
 Alpha virt. eigenvalues --    1.18901   1.19743   1.20865   1.21505   1.22632
 Alpha virt. eigenvalues --    1.23577   1.25024   1.26143   1.27783   1.29960
 Alpha virt. eigenvalues --    1.31972   1.33062   1.33312   1.34688   1.35281
 Alpha virt. eigenvalues --    1.36210   1.37905   1.38347   1.38763   1.39472
 Alpha virt. eigenvalues --    1.40051   1.42073   1.44226   1.44830   1.46044
 Alpha virt. eigenvalues --    1.46332   1.46960   1.47638   1.47957   1.48792
 Alpha virt. eigenvalues --    1.49861   1.50321   1.51179   1.52572   1.53284
 Alpha virt. eigenvalues --    1.53771   1.55573   1.56381   1.56575   1.57950
 Alpha virt. eigenvalues --    1.58531   1.58910   1.59417   1.60741   1.62418
 Alpha virt. eigenvalues --    1.63179   1.63753   1.64119   1.65390   1.66020
 Alpha virt. eigenvalues --    1.66699   1.67143   1.68752   1.69195   1.70120
 Alpha virt. eigenvalues --    1.70803   1.71496   1.72076   1.72434   1.72522
 Alpha virt. eigenvalues --    1.73557   1.74786   1.75123   1.76815   1.77682
 Alpha virt. eigenvalues --    1.78050   1.79057   1.80134   1.81735   1.82763
 Alpha virt. eigenvalues --    1.84069   1.84740   1.84920   1.85720   1.86895
 Alpha virt. eigenvalues --    1.87675   1.88065   1.88893   1.89801   1.90366
 Alpha virt. eigenvalues --    1.90940   1.91939   1.92145   1.92259   1.93586
 Alpha virt. eigenvalues --    1.94723   1.95331   1.96938   1.97876   1.98493
 Alpha virt. eigenvalues --    1.98745   1.99710   2.00628   2.02750   2.03109
 Alpha virt. eigenvalues --    2.03826   2.04653   2.05903   2.06472   2.06906
 Alpha virt. eigenvalues --    2.07525   2.08827   2.10530   2.10899   2.11247
 Alpha virt. eigenvalues --    2.12585   2.12758   2.13969   2.14546   2.16467
 Alpha virt. eigenvalues --    2.16711   2.17173   2.18513   2.20437   2.21843
 Alpha virt. eigenvalues --    2.22254   2.23349   2.23878   2.25873   2.26519
 Alpha virt. eigenvalues --    2.26931   2.28613   2.29722   2.30021   2.31385
 Alpha virt. eigenvalues --    2.31523   2.33087   2.34092   2.35693   2.36658
 Alpha virt. eigenvalues --    2.38329   2.38961   2.42101   2.42482   2.45570
 Alpha virt. eigenvalues --    2.46801   2.47143   2.47809   2.48612   2.50847
 Alpha virt. eigenvalues --    2.52276   2.53837   2.54769   2.55848   2.57879
 Alpha virt. eigenvalues --    2.59038   2.59684   2.60391   2.61820   2.64351
 Alpha virt. eigenvalues --    2.67299   2.69192   2.69998   2.71333   2.72399
 Alpha virt. eigenvalues --    2.74754   2.75605   2.78594   2.80497   2.81865
 Alpha virt. eigenvalues --    2.83409   2.86138   2.87929   2.88953   2.90368
 Alpha virt. eigenvalues --    2.95162   3.02589   3.06226   3.07625   3.09837
 Alpha virt. eigenvalues --    3.12346   3.18468   3.26846   3.33593   3.35051
 Alpha virt. eigenvalues --    3.37148   3.42233   3.43333   3.44113   3.46235
 Alpha virt. eigenvalues --    3.50329   3.52391   3.60071   3.62154   3.71410
 Alpha virt. eigenvalues --    3.73039   3.82898   3.90298   4.01272   4.80234
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   44.743042 -13.927901 -14.407227   5.260841  -5.002517  -5.559113
     2  C  -13.927901  30.036012   5.104273  -8.753858  -2.438980  -4.548886
     3  C  -14.407227   5.104273  44.473388 -12.032774  -6.295316  -5.318240
     4  C    5.260841  -8.753858 -12.032774  33.663510  -5.740201  -2.461162
     5  C   -5.002517  -2.438980  -6.295316  -5.740201  32.349263  -6.244055
     6  C   -5.559113  -4.548886  -5.318240  -2.461162  -6.244055  30.192517
     7  C   -1.692018  -1.684891  -0.545073  -0.755668  -0.503552   0.243082
     8  C   -0.438549   0.568683  -0.000771  -0.195877  -0.103796  -0.323273
     9  C   -0.611617  -0.083793   0.098024  -0.095480   0.209721   0.247573
    10  C   -0.131092  -0.076845   0.027080   0.015557   0.024087  -0.016221
    11  C   -0.136196  -0.374010  -0.696327  -6.822343   0.414028   0.119734
    12  C    0.243213  -0.028431  -1.271071   1.184946  -0.075821  -0.157697
    13  O   -0.071336  -0.012555   0.152552  -0.094674   0.015046   0.015436
    14  O   -0.057812   0.011722   0.116299  -0.051168   0.006682   0.028080
    15  H   -5.546163   3.004236   1.952349  -1.631290   0.097968   0.643049
    16  H    2.160563  -1.366071  -5.641390   2.299277   0.582813  -0.011969
    17  H   -0.319547   0.114538   0.138505   0.691029  -3.803592   1.791349
    18  H    0.202824   0.812968  -0.299836   0.244959   1.429858  -3.461925
    19  H   -0.974692  -0.684621  -0.070638  -0.042651   0.517852   0.932025
    20  H    1.247500  -0.376780   0.266444   0.261167  -0.336825  -0.507844
    21  H    0.333715  -0.321176   0.032066   0.082148  -0.000597   0.089211
    22  H   -0.074311  -0.172161   0.026399  -0.010181   0.092795   0.196965
    23  H   -0.091181   0.096297  -0.000953  -0.005900   0.037886  -0.041066
    24  H    0.128559  -0.035003   0.034061   0.061998  -0.157821   0.032697
    25  H    0.095297   0.089308  -0.014575   0.012643  -0.001252  -0.034103
    26  H   -0.161705   0.251286   0.015518  -0.003572   0.024041   0.072146
    27  H   -0.011073  -0.150241   0.004750  -0.008543  -0.008367  -0.016073
    28  H   -0.040391   0.019106  -0.206630   0.867984   0.190046  -0.048094
    29  C    0.066924  -0.218183  -0.827446  -0.801069   0.385602   0.080752
    30  H    0.011152   0.000824  -0.027232   0.044388  -0.007221  -0.004494
    31  H   -0.005687  -0.077176   0.062508  -0.961965   0.224138   0.073589
    32  H   -0.046583  -0.092614  -0.425013  -0.009309   0.191685   0.057583
    33  H   -0.002973   0.065741   0.176139   1.219059  -0.305247  -0.041550
               7          8          9         10         11         12
     1  C   -1.692018  -0.438549  -0.611617  -0.131092  -0.136196   0.243213
     2  C   -1.684891   0.568683  -0.083793  -0.076845  -0.374010  -0.028431
     3  C   -0.545073  -0.000771   0.098024   0.027080  -0.696327  -1.271071
     4  C   -0.755668  -0.195877  -0.095480   0.015557  -6.822343   1.184946
     5  C   -0.503552  -0.103796   0.209721   0.024087   0.414028  -0.075821
     6  C    0.243082  -0.323273   0.247573  -0.016221   0.119734  -0.157697
     7  C   12.753151  -0.987932   0.267921   0.268543  -0.385708  -0.008873
     8  C   -0.987932  10.364670  -0.643019  -0.392199  -0.029930   0.001575
     9  C    0.267921  -0.643019   4.901173  -0.209111  -0.003400  -0.001147
    10  C    0.268543  -0.392199  -0.209111   5.172621  -0.006177   0.000287
    11  C   -0.385708  -0.029930  -0.003400  -0.006177  17.399652  -2.852536
    12  C   -0.008873   0.001575  -0.001147   0.000287  -2.852536   8.334999
    13  O   -0.001574   0.000358  -0.000049   0.000026   0.157425  -0.155822
    14  O    0.000070  -0.000205  -0.000029  -0.000003   0.158740  -0.367031
    15  H   -0.139225   0.051555   0.017475   0.034894  -0.023885   0.001401
    16  H    0.097912  -0.007586   0.000828  -0.002490  -0.026486   0.191710
    17  H    0.145577   0.003574   0.003850  -0.001278  -0.031835  -0.059874
    18  H   -0.439741  -0.023044  -0.035491   0.032364   0.177883   0.008935
    19  H   -0.585888   0.130028   0.057047  -0.153349  -0.027349   0.000531
    20  H   -1.291791   0.070974   0.010853  -0.039800   0.004068   0.000112
    21  H   -0.038383  -2.063125   0.270790  -0.118927   0.007524  -0.000189
    22  H   -0.265054   0.029756   0.177237  -0.121832  -0.000534   0.000107
    23  H    0.089959  -0.103039   0.014166   0.126684   0.003255  -0.000185
    24  H   -0.161947   0.383740   0.050061  -0.121618  -0.017836   0.002894
    25  H   -0.007594  -0.374322  -0.083818   0.365777   0.001392   0.000102
    26  H   -0.216738   0.359694  -0.067233  -0.013818   0.000252  -0.000024
    27  H    0.086780   0.316335   0.080698  -0.044732  -0.001539  -0.000006
    28  H   -0.011841   0.004435  -0.001177   0.000130  -2.117173   0.264670
    29  C   -0.072651  -0.006787   0.001724   0.000620   0.735763  -0.020696
    30  H    0.000107  -0.000021   0.000022  -0.000001   0.007738  -0.070733
    31  H   -0.019888   0.004327  -0.001237   0.000298   0.956831  -0.163559
    32  H   -0.011972   0.000279  -0.001290   0.000093  -0.291120   0.081963
    33  H    0.002988  -0.000804   0.000318  -0.000039  -0.687270   0.025313
              13         14         15         16         17         18
     1  C   -0.071336  -0.057812  -5.546163   2.160563  -0.319547   0.202824
     2  C   -0.012555   0.011722   3.004236  -1.366071   0.114538   0.812968
     3  C    0.152552   0.116299   1.952349  -5.641390   0.138505  -0.299836
     4  C   -0.094674  -0.051168  -1.631290   2.299277   0.691029   0.244959
     5  C    0.015046   0.006682   0.097968   0.582813  -3.803592   1.429858
     6  C    0.015436   0.028080   0.643049  -0.011969   1.791349  -3.461925
     7  C   -0.001574   0.000070  -0.139225   0.097912   0.145577  -0.439741
     8  C    0.000358  -0.000205   0.051555  -0.007586   0.003574  -0.023044
     9  C   -0.000049  -0.000029   0.017475   0.000828   0.003850  -0.035491
    10  C    0.000026  -0.000003   0.034894  -0.002490  -0.001278   0.032364
    11  C    0.157425   0.158740  -0.023885  -0.026486  -0.031835   0.177883
    12  C   -0.155822  -0.367031   0.001401   0.191710  -0.059874   0.008935
    13  O    8.575942   0.025590  -0.001458  -0.046463   0.004925  -0.000151
    14  O    0.025590   8.417640  -0.000613  -0.017834   0.015451  -0.000240
    15  H   -0.001458  -0.000613   4.376339  -0.449627   0.002450  -0.027987
    16  H   -0.046463  -0.017834  -0.449627   4.448753  -0.038562   0.005895
    17  H    0.004925   0.015451   0.002450  -0.038562   4.072615  -0.457051
    18  H   -0.000151  -0.000240  -0.027987   0.005895  -0.457051   4.067000
    19  H    0.000001  -0.000141   0.007213   0.001835   0.029322  -0.208810
    20  H   -0.000126  -0.000077  -0.102605   0.007184  -0.007773   0.048675
    21  H    0.000027  -0.000002  -0.086813   0.004242   0.001755  -0.002588
    22  H    0.000002   0.000001  -0.015165   0.002598   0.003475  -0.031121
    23  H   -0.000010  -0.000016   0.004189  -0.001101  -0.001966   0.011193
    24  H   -0.000130   0.000063   0.029897  -0.008044   0.000597  -0.007349
    25  H   -0.000004   0.000003   0.006931  -0.000694  -0.001031   0.017379
    26  H    0.000007   0.000004   0.015851   0.000333   0.000049   0.001171
    27  H    0.000004  -0.000001  -0.006236   0.000236   0.000319  -0.005098
    28  H   -0.007901  -0.040040   0.004716  -0.019710  -0.232456   0.008069
    29  C    0.009161  -0.003030   0.004209   0.055755   0.015861   0.014558
    30  H   -0.043097   0.262505  -0.000028   0.002890  -0.001039   0.000004
    31  H    0.023120   0.008757  -0.005626   0.019516  -0.015452   0.007121
    32  H    0.002746  -0.013336   0.008842  -0.117210   0.009919  -0.001347
    33  H    0.000374   0.002840  -0.001550   0.019997   0.006569  -0.000342
              19         20         21         22         23         24
     1  C   -0.974692   1.247500   0.333715  -0.074311  -0.091181   0.128559
     2  C   -0.684621  -0.376780  -0.321176  -0.172161   0.096297  -0.035003
     3  C   -0.070638   0.266444   0.032066   0.026399  -0.000953   0.034061
     4  C   -0.042651   0.261167   0.082148  -0.010181  -0.005900   0.061998
     5  C    0.517852  -0.336825  -0.000597   0.092795   0.037886  -0.157821
     6  C    0.932025  -0.507844   0.089211   0.196965  -0.041066   0.032697
     7  C   -0.585888  -1.291791  -0.038383  -0.265054   0.089959  -0.161947
     8  C    0.130028   0.070974  -2.063125   0.029756  -0.103039   0.383740
     9  C    0.057047   0.010853   0.270790   0.177237   0.014166   0.050061
    10  C   -0.153349  -0.039800  -0.118927  -0.121832   0.126684  -0.121618
    11  C   -0.027349   0.004068   0.007524  -0.000534   0.003255  -0.017836
    12  C    0.000531   0.000112  -0.000189   0.000107  -0.000185   0.002894
    13  O    0.000001  -0.000126   0.000027   0.000002  -0.000010  -0.000130
    14  O   -0.000141  -0.000077  -0.000002   0.000001  -0.000016   0.000063
    15  H    0.007213  -0.102605  -0.086813  -0.015165   0.004189   0.029897
    16  H    0.001835   0.007184   0.004242   0.002598  -0.001101  -0.008044
    17  H    0.029322  -0.007773   0.001755   0.003475  -0.001966   0.000597
    18  H   -0.208810   0.048675  -0.002588  -0.031121   0.011193  -0.007349
    19  H    3.099294  -0.499756   0.126709   0.037739   0.010344  -0.019843
    20  H   -0.499756   2.921588   0.032790   0.016151  -0.017521   0.036135
    21  H    0.126709   0.032790   3.478548   0.165431  -0.072040  -0.090337
    22  H    0.037739   0.016151   0.165431   2.045383  -0.498942  -0.348817
    23  H    0.010344  -0.017521  -0.072040  -0.498942   2.479168  -0.646191
    24  H   -0.019843   0.036135  -0.090337  -0.348817  -0.646191   2.229505
    25  H   -0.077670  -0.005473   0.138684  -0.009372  -0.013881   0.009040
    26  H    0.011397  -0.102769  -0.110403  -0.000201   0.042783  -0.032824
    27  H    0.019491   0.036452  -0.118360  -0.023377  -0.052482   0.033030
    28  H   -0.002054   0.000121  -0.000338  -0.000579   0.000421  -0.000416
    29  C   -0.002921  -0.000215   0.000047   0.000355   0.001302  -0.005231
    30  H    0.000056  -0.000034  -0.000028  -0.000003   0.000002   0.000003
    31  H   -0.001337  -0.000219   0.000898   0.000105  -0.000040  -0.005201
    32  H   -0.000156  -0.000271  -0.000646  -0.000253   0.000075  -0.000456
    33  H    0.000226   0.000179   0.000138   0.000132   0.000068   0.000671
              25         26         27         28         29         30
     1  C    0.095297  -0.161705  -0.011073  -0.040391   0.066924   0.011152
     2  C    0.089308   0.251286  -0.150241   0.019106  -0.218183   0.000824
     3  C   -0.014575   0.015518   0.004750  -0.206630  -0.827446  -0.027232
     4  C    0.012643  -0.003572  -0.008543   0.867984  -0.801069   0.044388
     5  C   -0.001252   0.024041  -0.008367   0.190046   0.385602  -0.007221
     6  C   -0.034103   0.072146  -0.016073  -0.048094   0.080752  -0.004494
     7  C   -0.007594  -0.216738   0.086780  -0.011841  -0.072651   0.000107
     8  C   -0.374322   0.359694   0.316335   0.004435  -0.006787  -0.000021
     9  C   -0.083818  -0.067233   0.080698  -0.001177   0.001724   0.000022
    10  C    0.365777  -0.013818  -0.044732   0.000130   0.000620  -0.000001
    11  C    0.001392   0.000252  -0.001539  -2.117173   0.735763   0.007738
    12  C    0.000102  -0.000024  -0.000006   0.264670  -0.020696  -0.070733
    13  O   -0.000004   0.000007   0.000004  -0.007901   0.009161  -0.043097
    14  O    0.000003   0.000004  -0.000001  -0.040040  -0.003030   0.262505
    15  H    0.006931   0.015851  -0.006236   0.004716   0.004209  -0.000028
    16  H   -0.000694   0.000333   0.000236  -0.019710   0.055755   0.002890
    17  H   -0.001031   0.000049   0.000319  -0.232456   0.015861  -0.001039
    18  H    0.017379   0.001171  -0.005098   0.008069   0.014558   0.000004
    19  H   -0.077670   0.011397   0.019491  -0.002054  -0.002921   0.000056
    20  H   -0.005473  -0.102769   0.036452   0.000121  -0.000215  -0.000034
    21  H    0.138684  -0.110403  -0.118360  -0.000338   0.000047  -0.000028
    22  H   -0.009372  -0.000201  -0.023377  -0.000579   0.000355  -0.000003
    23  H   -0.013881   0.042783  -0.052482   0.000421   0.001302   0.000002
    24  H    0.009040  -0.032824   0.033030  -0.000416  -0.005231   0.000003
    25  H    1.940697  -0.341082  -0.482882   0.000073   0.000126   0.000001
    26  H   -0.341082   2.110963  -0.544362   0.000053   0.000258  -0.000001
    27  H   -0.482882  -0.544362   2.199737  -0.000049  -0.000243   0.000000
    28  H    0.000073   0.000053  -0.000049   2.946855   0.052062   0.009264
    29  C    0.000126   0.000258  -0.000243   0.052062   5.080234   0.011422
    30  H    0.000001  -0.000001   0.000000   0.009264   0.011422   0.659412
    31  H    0.000086   0.000053  -0.000065  -0.035081  -0.006524  -0.001063
    32  H    0.000027  -0.000014  -0.000043   0.105159   0.627127   0.003828
    33  H   -0.000001   0.000016  -0.000021   0.000431  -0.529871   0.000135
              31         32         33
     1  C   -0.005687  -0.046583  -0.002973
     2  C   -0.077176  -0.092614   0.065741
     3  C    0.062508  -0.425013   0.176139
     4  C   -0.961965  -0.009309   1.219059
     5  C    0.224138   0.191685  -0.305247
     6  C    0.073589   0.057583  -0.041550
     7  C   -0.019888  -0.011972   0.002988
     8  C    0.004327   0.000279  -0.000804
     9  C   -0.001237  -0.001290   0.000318
    10  C    0.000298   0.000093  -0.000039
    11  C    0.956831  -0.291120  -0.687270
    12  C   -0.163559   0.081963   0.025313
    13  O    0.023120   0.002746   0.000374
    14  O    0.008757  -0.013336   0.002840
    15  H   -0.005626   0.008842  -0.001550
    16  H    0.019516  -0.117210   0.019997
    17  H   -0.015452   0.009919   0.006569
    18  H    0.007121  -0.001347  -0.000342
    19  H   -0.001337  -0.000156   0.000226
    20  H   -0.000219  -0.000271   0.000179
    21  H    0.000898  -0.000646   0.000138
    22  H    0.000105  -0.000253   0.000132
    23  H   -0.000040   0.000075   0.000068
    24  H   -0.005201  -0.000456   0.000671
    25  H    0.000086   0.000027  -0.000001
    26  H    0.000053  -0.000014   0.000016
    27  H   -0.000065  -0.000043  -0.000021
    28  H   -0.035081   0.105159   0.000431
    29  C   -0.006524   0.627127  -0.529871
    30  H   -0.001063   0.003828   0.000135
    31  H    2.066321  -0.375009  -0.454199
    32  H   -0.375009   1.965607  -0.421046
    33  H   -0.454199  -0.421046   2.304121
 Mulliken charges:
               1
     1  C    0.816054
     2  C    1.249182
     3  C    1.400157
     4  C    0.568183
     5  C    0.231651
     6  C   -0.020025
     7  C    1.871914
     8  C   -0.595704
     9  C    1.428410
    10  C    1.380470
    11  C    0.387369
    12  C    0.890939
    13  O   -0.547393
    14  O   -0.502868
    15  H   -1.225292
    16  H   -1.147099
    17  H   -1.080272
    18  H   -1.088733
    19  H   -0.629234
    20  H   -0.670514
    21  H   -0.740770
    22  H   -0.222727
    23  H   -0.371280
    24  H   -0.373886
    25  H   -0.229812
    26  H   -0.311130
    27  H   -0.304037
    28  H   -0.709667
    29  C    1.351004
    30  H    0.141241
    31  H   -0.318341
    32  H   -0.247245
    33  H   -0.380544
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.409238
     2  C    1.249182
     3  C    0.253058
     4  C    0.568183
     5  C   -0.848621
     6  C   -1.108758
     7  C    0.572166
     8  C   -1.336473
     9  C    0.460517
    10  C    0.535491
    11  C   -0.322298
    12  C    0.890939
    13  O   -0.547393
    14  O   -0.361627
    29  C    0.404875
 Electronic spatial extent (au):  <R**2>=           4747.4841
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0749    Y=              0.3677    Z=              1.1788  Tot=              1.6371
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.8361   YY=            -90.3901   ZZ=            -93.5246
   XY=              1.5233   XZ=              6.4248   YZ=              0.0927
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0808   YY=              1.5268   ZZ=             -1.6077
   XY=              1.5233   XZ=              6.4248   YZ=              0.0927
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             32.6989  YYY=            -16.0389  ZZZ=              3.2186  XYY=             28.4227
  XXY=             -8.4720  XXZ=             30.2837  XZZ=             -8.0566  YZZ=              2.5172
  YYZ=              1.7120  XYZ=             -8.6827
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5293.1378 YYYY=           -606.9612 ZZZZ=           -529.3947 XXXY=            -96.3808
 XXXZ=            146.9484 YYYX=            -61.0523 YYYZ=             -9.6883 ZZZX=              2.0011
 ZZZY=              9.9711 XXYY=           -909.3430 XXZZ=          -1022.4363 YYZZ=           -194.9676
 XXYZ=            -52.5503 YYXZ=             30.1287 ZZXY=              5.1479
 N-N= 9.704802965700D+02 E-N=-3.468374281830D+03  KE= 6.529443870852D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 15:56:14 2021, MaxMem=  6442450944 cpu:               6.3 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.95197388D-01 1.16479224D-01 4.67266297D-01
 Polarizability= 2.07637691D+02 8.59182934D+00 1.29803752D+02
                -3.67801499D+00 6.80300155D+00 1.42111099D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.1667    2.1676        4.6601    4.6599
 2     -2.1667   -2.1676       -3.4852   -3.4864      -43.8329  -43.8325
 3     -4.6601   -4.6599       37.6177   37.6200        3.4875    3.4864
 4      3.4852    3.4864        0.0000    0.0000       -4.6576   -4.6599
 5      6.2152    6.2125        4.6576    4.6599        2.1724    2.1676
 6     -3.4875   -3.4864       -2.1724   -2.1676        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -6.5029   -6.5029       13.9798   13.9798
 2     10.4593   10.4593        0.0000    0.0000       13.9798   13.9798
 3     10.4593   10.4593       -6.5029   -6.5029       -0.0000    0.0000
 4     -6.5029   -6.5029      -10.4593  -10.4593     -131.4974 -131.4974
 5    -13.9798  -13.9798      112.8600  112.8600       10.4593   10.4593
 6     18.6375   18.6375       13.9798   13.9798        6.5029    6.5029
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0169    0.0000       -8.6500   -8.6706      -18.8363  -18.6398
 2      8.5779    8.6706       14.1046   13.9457      175.7036  175.3299
 3     18.5612   18.6398     -150.4857 -150.4799      -14.0737  -13.9457
 4    -13.9140  -13.9457        0.0384    0.0000       18.4024   18.6398
 5    -24.7539  -24.8500      -18.7118  -18.6398       -8.4872   -8.6706
 6     13.8958   13.9457        8.7650    8.6706        0.0475    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1121    0.0000       23.3798   23.5457       44.9264   44.9958
 2    -24.0651  -23.5457       18.6618   18.2705       48.4590   47.8165
 3    -45.1323  -44.9958        4.7641    3.9815      -18.4391  -18.2705
 4    -17.9057  -18.2705       -0.1145    0.0000      -45.0076  -44.9958
 5    -51.7798  -51.7979       44.5959   44.9958       23.4270   23.5457
 6     18.4391   18.2705      -24.0109  -23.5457        0.1733    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     22.8316   23.5055       31.3133   30.6733      -24.7632  -24.3199
 2    -22.3324  -22.1214       84.7325   84.2863      -24.7860  -24.3199
 3    -22.3307  -22.1214       31.0597   30.6733      -54.3354  -53.7554
 4    -53.4085  -53.6130       45.7451   45.6270       48.1432   48.1286
 5    -29.0832  -29.4355       36.3605   36.6741      -45.1141  -45.6270
 6    -84.8472  -84.8027       29.3981   29.4355       52.7229   53.6130
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2480   -1.2187   -0.0003    0.0004    0.0007    1.8638
 Low frequencies ---   24.3249   38.3693   46.1605
 Diagonal vibrational polarizability:
       40.5311553      25.9089100       8.2901328
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.2900                38.3680                46.1577
 Red. masses --      3.6983                 6.7213                 4.7057
 Frc consts  --      0.0013                 0.0058                 0.0059
 IR Inten    --      0.1945                 1.3119                 0.6384
 RamAct Fr= 1--      0.3331                 1.2169                 1.9048
  Dep-P Fr= 1--      0.6952                 0.7470                 0.7390
  Dep-U Fr= 1--      0.8202                 0.8552                 0.8499
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0004
 Beta2  Fr= 1--      0.0455                 0.1734                 0.2698
 AlphaG Fr= 1--     -0.0015                 0.0014                 0.0030
 Gamma2 Fr= 1--      0.2928                -1.0201                 0.1889
 Delta2 Fr= 1--      0.2205                -0.2412                -0.9140
 Raman1 Fr= 1--       1.333                  4.868                  7.619
 ROA1   Fr= 1--      35.169               -105.643                -11.111
 CID1   Fr= 1--      26.392                -21.704                 -1.458
 Raman2 Fr= 1--       0.546                  2.081                  3.238
 ROA2   Fr= 1--       5.264                -22.552                 11.846
 CID2   Fr= 1--       9.632                -10.836                  3.659
 Raman3 Fr= 1--       1.093                  4.163                  6.476
 ROA3   Fr= 1--      35.169               -105.643                -11.111
 CID3   Fr= 1--      32.179                -25.380                 -1.716
 RC180  Fr= 1--       0.640                  0.710                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.10    -0.01  -0.09   0.02     0.04  -0.23   0.06
     2   6     0.01  -0.02  -0.08    -0.03  -0.08   0.00    -0.01  -0.09  -0.00
     3   6    -0.00   0.07  -0.10    -0.01  -0.10   0.03     0.04  -0.22   0.06
     4   6    -0.00   0.03  -0.07    -0.03  -0.09   0.03    -0.02  -0.07   0.00
     5   6     0.00  -0.04  -0.06    -0.03  -0.10   0.03    -0.06   0.05  -0.05
     6   6     0.01  -0.06  -0.06    -0.04  -0.09   0.01    -0.05   0.04  -0.05
     7   6     0.02  -0.04  -0.09    -0.05  -0.01  -0.04    -0.03  -0.03  -0.03
     8   6    -0.02   0.05   0.06     0.02   0.07  -0.03     0.03   0.08   0.02
     9   6    -0.05  -0.02   0.25     0.10   0.05   0.01     0.08   0.04   0.13
    10   6    -0.01   0.02   0.01    -0.01   0.15  -0.08     0.00   0.15  -0.04
    11   6    -0.00   0.03  -0.06    -0.05  -0.02   0.03    -0.04   0.00  -0.03
    12   6     0.00   0.00   0.08     0.02   0.04  -0.00     0.04   0.06  -0.01
    13   8     0.03  -0.10   0.12    -0.22  -0.10  -0.04     0.21   0.17   0.01
    14   8    -0.03   0.10   0.14     0.40   0.26   0.03    -0.09  -0.02  -0.02
    15   1     0.00   0.08  -0.12    -0.01  -0.09   0.01     0.07  -0.33   0.10
    16   1    -0.01   0.11  -0.11     0.00  -0.10   0.04     0.07  -0.31   0.10
    17   1     0.00  -0.07  -0.04    -0.04  -0.09   0.03    -0.10   0.16  -0.10
    18   1     0.02  -0.11  -0.05    -0.05  -0.09   0.01    -0.09   0.14  -0.10
    19   1     0.05  -0.18  -0.08    -0.07  -0.03  -0.05    -0.04  -0.08  -0.04
    20   1     0.02   0.01  -0.22    -0.09   0.01  -0.08    -0.07   0.00  -0.11
    21   1    -0.05   0.20   0.05     0.05   0.07  -0.02     0.05   0.14   0.03
    22   1    -0.03  -0.17   0.27     0.08   0.05   0.00     0.07  -0.02   0.13
    23   1    -0.08   0.04   0.36     0.14   0.10   0.02     0.11   0.11   0.17
    24   1    -0.06   0.00   0.29     0.12  -0.01   0.04     0.09   0.00   0.17
    25   1     0.01  -0.13   0.02    -0.04   0.15  -0.09    -0.02   0.09  -0.05
    26   1     0.00   0.08  -0.13    -0.06   0.17  -0.11    -0.04   0.18  -0.12
    27   1    -0.04   0.09   0.12     0.04   0.21  -0.08     0.04   0.23  -0.01
    28   1    -0.04   0.11  -0.07    -0.06  -0.01   0.02    -0.05   0.04  -0.03
    29   6     0.05  -0.05  -0.13    -0.12  -0.00   0.02    -0.13   0.00  -0.05
    30   1    -0.03   0.07   0.23     0.42   0.28   0.02    -0.02   0.02  -0.01
    31   1     0.04  -0.04  -0.23    -0.18  -0.05   0.02    -0.18  -0.04  -0.04
    32   1     0.10  -0.13  -0.12    -0.10  -0.02   0.03    -0.14  -0.03  -0.04
    33   1     0.05  -0.05  -0.11    -0.14   0.07   0.03    -0.15   0.06  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --     50.3115                70.4612                95.1085
 Red. masses --      3.1810                 3.1549                 5.4221
 Frc consts  --      0.0047                 0.0092                 0.0289
 IR Inten    --      0.2198                 0.0953                 0.1841
 RamAct Fr= 1--      2.3315                 1.7869                 2.4640
  Dep-P Fr= 1--      0.7279                 0.7263                 0.6565
  Dep-U Fr= 1--      0.8425                 0.8415                 0.7926
 Alpha2 Fr= 1--      0.0009                 0.0007                 0.0041
 Beta2  Fr= 1--      0.3274                 0.2506                 0.3255
 AlphaG Fr= 1--     -0.0016                 0.0009                 0.0017
 Gamma2 Fr= 1--     -0.3580                 0.2013                -0.0313
 Delta2 Fr= 1--     -0.1533                 0.5869                 0.1191
 Raman1 Fr= 1--       9.326                  7.148                  9.856
 ROA1   Fr= 1--     -39.271                 38.103                  0.804
 CID1   Fr= 1--      -4.211                  5.331                  0.082
 Raman2 Fr= 1--       3.929                  3.007                  3.906
 ROA2   Fr= 1--      -7.366                  0.135                 -1.705
 CID2   Fr= 1--      -1.875                  0.045                 -0.437
 Raman3 Fr= 1--       7.858                  6.015                  7.812
 ROA3   Fr= 1--     -39.271                 38.103                  0.804
 CID3   Fr= 1--      -4.998                  6.335                  0.103
 RC180  Fr= 1--       0.685                  0.683                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05     0.05  -0.05  -0.06    -0.07   0.08  -0.04
     2   6    -0.00  -0.06  -0.01    -0.00   0.01  -0.11    -0.06   0.10  -0.03
     3   6    -0.04   0.06  -0.05     0.06  -0.05  -0.02    -0.03  -0.04  -0.02
     4   6    -0.02  -0.01  -0.02     0.00   0.01  -0.02     0.03  -0.13   0.00
     5   6     0.01  -0.13   0.03    -0.06   0.09  -0.08     0.04  -0.11   0.01
     6   6     0.02  -0.15   0.03    -0.06   0.09  -0.13     0.00   0.00  -0.00
     7   6    -0.01  -0.04  -0.00     0.01  -0.04  -0.11    -0.07   0.13   0.02
     8   6     0.01  -0.03  -0.01    -0.08  -0.02   0.01    -0.14   0.04  -0.00
     9   6     0.19   0.02  -0.15     0.02  -0.01  -0.01    -0.23   0.06  -0.05
    10   6    -0.05   0.10   0.16    -0.09   0.00   0.23    -0.11  -0.06   0.05
    11   6    -0.03   0.03  -0.02     0.02  -0.02   0.06     0.02  -0.10  -0.00
    12   6    -0.00   0.04   0.03     0.01  -0.02   0.02     0.16  -0.00   0.01
    13   8     0.08   0.05   0.05    -0.03  -0.01   0.01     0.29   0.08   0.03
    14   8    -0.07   0.04   0.05     0.06  -0.02   0.01     0.19   0.01   0.01
    15   1    -0.05   0.10  -0.08     0.10  -0.10  -0.05    -0.11   0.15  -0.06
    16   1    -0.06   0.14  -0.08     0.11  -0.10   0.03    -0.06  -0.04  -0.04
    17   1     0.03  -0.19   0.05    -0.11   0.14  -0.09     0.07  -0.18   0.03
    18   1     0.04  -0.23   0.06    -0.11   0.14  -0.17     0.03   0.01   0.01
    19   1    -0.01  -0.01  -0.00     0.05  -0.13  -0.09    -0.04   0.18   0.03
    20   1    -0.04  -0.04   0.02     0.03  -0.01  -0.17    -0.07   0.10   0.09
    21   1    -0.08  -0.16  -0.05    -0.22  -0.04  -0.05    -0.17   0.03  -0.01
    22   1     0.30   0.16  -0.12     0.20   0.00   0.05    -0.26   0.07  -0.06
    23   1     0.17   0.01  -0.15    -0.09  -0.03   0.09    -0.26   0.00  -0.09
    24   1     0.22  -0.06  -0.30     0.02  -0.01  -0.20    -0.26   0.12  -0.05
    25   1     0.03   0.26   0.20     0.05   0.05   0.29    -0.07  -0.07   0.07
    26   1    -0.18   0.05   0.29    -0.17  -0.01   0.27    -0.05  -0.07   0.08
    27   1    -0.03   0.09   0.14    -0.17  -0.01   0.30    -0.17  -0.12   0.06
    28   1    -0.05   0.06  -0.03    -0.01  -0.08   0.09    -0.01  -0.08  -0.00
    29   6    -0.05   0.00  -0.05     0.08   0.04   0.14    -0.05  -0.08  -0.00
    30   1    -0.05   0.04   0.08     0.06  -0.01  -0.02     0.32   0.10   0.02
    31   1    -0.08  -0.01  -0.09     0.08   0.04   0.16    -0.11  -0.13  -0.01
    32   1    -0.02  -0.03  -0.05     0.10   0.10   0.11    -0.01  -0.10  -0.00
    33   1    -0.06   0.03  -0.05     0.08   0.02   0.19    -0.07  -0.01   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    178.2726               202.2722               221.8914
 Red. masses --      3.1070                 3.0324                 1.0863
 Frc consts  --      0.0582                 0.0731                 0.0315
 IR Inten    --      0.0958                 0.3701                 0.0980
 RamAct Fr= 1--      0.7527                 0.2790                 0.2447
  Dep-P Fr= 1--      0.5966                 0.6207                 0.2480
  Dep-U Fr= 1--      0.7473                 0.7660                 0.3974
 Alpha2 Fr= 1--      0.0021                 0.0007                 0.0029
 Beta2  Fr= 1--      0.0938                 0.0356                 0.0162
 AlphaG Fr= 1--     -0.0081                -0.0024                -0.0003
 Gamma2 Fr= 1--      0.3602                 0.4748                 0.2313
 Delta2 Fr= 1--      0.1923                 0.3559                 0.1247
 Raman1 Fr= 1--       3.011                  1.116                  0.979
 ROA1   Fr= 1--      40.733                 56.972                 26.198
 CID1   Fr= 1--      13.528                 51.051                 26.763
 Raman2 Fr= 1--       1.125                  0.427                  0.195
 ROA2   Fr= 1--       7.106                  8.548                  4.554
 CID2   Fr= 1--       6.316                 20.001                 23.412
 Raman3 Fr= 1--       2.250                  0.855                  0.389
 ROA3   Fr= 1--      40.733                 56.972                 26.198
 CID3   Fr= 1--      18.102                 66.650                 67.338
 RC180  Fr= 1--       0.495                  0.532                 -0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.04  -0.00     0.05  -0.10  -0.02    -0.01   0.03  -0.00
     2   6    -0.05  -0.06   0.05     0.05  -0.03  -0.03    -0.00   0.02   0.00
     3   6    -0.12   0.00  -0.10     0.06  -0.12  -0.04    -0.01   0.01  -0.00
     4   6    -0.06   0.02  -0.14     0.05  -0.06  -0.06    -0.00  -0.01   0.00
     5   6    -0.02   0.04  -0.11     0.08  -0.10  -0.04    -0.00   0.02  -0.00
     6   6    -0.00   0.00  -0.01     0.09  -0.08  -0.02    -0.01   0.03  -0.00
     7   6    -0.06  -0.04   0.14     0.02   0.10   0.03     0.01  -0.01   0.00
     8   6     0.01  -0.04   0.06    -0.01   0.07   0.01     0.01  -0.01   0.00
     9   6     0.05  -0.03   0.02    -0.11   0.09  -0.04     0.03  -0.02   0.02
    10   6    -0.01   0.04  -0.06     0.03  -0.03   0.05     0.01  -0.00  -0.01
    11   6    -0.03  -0.03  -0.03     0.01   0.05  -0.02    -0.00  -0.01   0.01
    12   6     0.01  -0.01  -0.01    -0.03   0.03  -0.01     0.00  -0.01   0.00
    13   8     0.08   0.00   0.01    -0.07  -0.05   0.01    -0.01   0.00  -0.00
    14   8     0.04   0.04   0.02    -0.11   0.06   0.03     0.01  -0.02  -0.01
    15   1    -0.15  -0.06   0.03     0.03  -0.12  -0.00    -0.02   0.04  -0.00
    16   1    -0.17  -0.00  -0.14     0.05  -0.14  -0.03    -0.01   0.01  -0.00
    17   1     0.02   0.06  -0.15     0.11  -0.12  -0.04     0.00   0.02  -0.01
    18   1     0.05   0.02   0.02     0.10  -0.08  -0.01    -0.01   0.04  -0.00
    19   1    -0.03   0.07   0.15     0.06   0.19   0.05     0.00  -0.02   0.00
    20   1    -0.11  -0.07   0.23    -0.07   0.08   0.11     0.03  -0.01  -0.00
    21   1     0.10  -0.08   0.09    -0.01   0.06   0.01     0.02  -0.01   0.00
    22   1    -0.10   0.03  -0.03    -0.31   0.14  -0.12     0.13  -0.04   0.06
    23   1     0.19   0.01  -0.09    -0.00   0.06  -0.20    -0.05  -0.02   0.09
    24   1     0.08  -0.10   0.15    -0.12   0.10   0.13     0.02   0.01  -0.08
    25   1    -0.13   0.12  -0.11     0.10  -0.14   0.08    -0.03   0.08  -0.03
    26   1    -0.03   0.02  -0.01     0.08   0.00  -0.03     0.02  -0.04   0.07
    27   1     0.10   0.05  -0.17    -0.06  -0.03   0.15     0.04  -0.05  -0.09
    28   1    -0.12  -0.12   0.02    -0.05  -0.00   0.01    -0.01  -0.00   0.01
    29   6     0.18   0.07   0.12    -0.01   0.14   0.08    -0.03  -0.02  -0.00
    30   1     0.10   0.07   0.04    -0.19  -0.02   0.08     0.00  -0.02  -0.03
    31   1     0.21   0.09   0.11    -0.21   0.00   0.01    -0.42  -0.24  -0.33
    32   1     0.33   0.19   0.04     0.24   0.16   0.01     0.49  -0.20  -0.05
    33   1     0.20   0.00   0.33    -0.08   0.34   0.29    -0.16   0.37   0.36
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.0970               240.5552               252.6460
 Red. masses --      1.0975                 2.8311                 1.1559
 Frc consts  --      0.0339                 0.0965                 0.0435
 IR Inten    --      0.2882                 0.8810                 0.0444
 RamAct Fr= 1--      0.0648                 2.3357                 0.2839
  Dep-P Fr= 1--      0.7487                 0.1890                 0.7284
  Dep-U Fr= 1--      0.8563                 0.3180                 0.8429
 Alpha2 Fr= 1--      0.0000                 0.0326                 0.0001
 Beta2  Fr= 1--      0.0093                 0.1238                 0.0399
 AlphaG Fr= 1--      0.0001                -0.0039                 0.0031
 Gamma2 Fr= 1--     -0.1843                -0.1025                -0.4751
 Delta2 Fr= 1--     -0.0072                 0.1225                -0.2056
 Raman1 Fr= 1--       0.259                  9.343                  1.135
 ROA1   Fr= 1--     -17.926                 -5.915                -52.192
 CID1   Fr= 1--     -69.123                 -0.633                -45.968
 Raman2 Fr= 1--       0.111                  1.485                  0.478
 ROA2   Fr= 1--      -4.366                 -3.439                 -9.759
 CID2   Fr= 1--     -39.321                 -2.315                -20.395
 Raman3 Fr= 1--       0.222                  2.971                  0.957
 ROA3   Fr= 1--     -17.926                 -5.915                -52.192
 CID3   Fr= 1--     -80.724                 -1.991                -54.537
 RC180  Fr= 1--       0.713                 -0.364                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.05  -0.08   0.06    -0.02  -0.03   0.03
     2   6     0.01   0.00  -0.00    -0.01  -0.07   0.02    -0.01  -0.01   0.03
     3   6     0.01  -0.02  -0.01     0.04  -0.01   0.07    -0.02  -0.02   0.01
     4   6     0.01  -0.01  -0.01     0.01   0.07   0.04    -0.01   0.00  -0.01
     5   6     0.02  -0.02  -0.01    -0.01  -0.03   0.05     0.00  -0.02   0.01
     6   6     0.02  -0.01  -0.00    -0.00  -0.09   0.04     0.00  -0.02   0.03
     7   6     0.00   0.01   0.00    -0.04  -0.02  -0.04    -0.02   0.02   0.00
     8   6    -0.00   0.01   0.00    -0.07   0.01  -0.02    -0.01   0.02  -0.02
     9   6    -0.03   0.00   0.03    -0.10   0.01  -0.02     0.01   0.02  -0.02
    10   6    -0.00   0.01  -0.03    -0.09   0.06   0.00     0.01  -0.02  -0.02
    11   6     0.00   0.01  -0.01     0.03   0.07   0.01    -0.01   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.01   0.05   0.01    -0.01   0.01  -0.01
    13   8    -0.00  -0.02   0.00    -0.05   0.10  -0.02     0.00   0.01  -0.01
    14   8    -0.02   0.02   0.01     0.02  -0.01  -0.04    -0.00   0.02  -0.00
    15   1     0.00  -0.02   0.00     0.11  -0.11   0.05    -0.03  -0.04   0.04
    16   1     0.01  -0.03  -0.01     0.05  -0.01   0.08    -0.03  -0.03   0.00
    17   1     0.03  -0.03  -0.01    -0.05  -0.03   0.08     0.02  -0.02   0.00
    18   1     0.02  -0.01   0.00    -0.00  -0.13   0.05     0.02  -0.02   0.04
    19   1     0.01   0.01   0.00    -0.05  -0.07  -0.05    -0.05   0.05  -0.01
    20   1     0.00   0.02  -0.00    -0.05   0.00  -0.10    -0.03   0.01   0.02
    21   1     0.00   0.02   0.01    -0.08   0.01  -0.02    -0.01   0.02  -0.02
    22   1     0.26  -0.07   0.13    -0.23   0.02  -0.07     0.44  -0.03   0.14
    23   1    -0.29  -0.06   0.22    -0.03   0.01  -0.10    -0.34  -0.07   0.25
    24   1    -0.08   0.13  -0.25    -0.10   0.01   0.10    -0.05   0.16  -0.44
    25   1    -0.19   0.42  -0.09    -0.15   0.25  -0.01     0.12  -0.34   0.01
    26   1     0.06  -0.16   0.38    -0.13  -0.01   0.16     0.01   0.10  -0.32
    27   1     0.12  -0.23  -0.40    -0.03   0.00  -0.13    -0.09   0.13   0.24
    28   1     0.00  -0.01  -0.01     0.04   0.12  -0.01    -0.02   0.00  -0.01
    29   6    -0.01   0.03   0.02     0.22  -0.06  -0.10     0.06   0.00  -0.00
    30   1    -0.03   0.00   0.03    -0.00  -0.00  -0.09     0.00   0.02   0.00
    31   1     0.07   0.06   0.11     0.20  -0.01  -0.37     0.08   0.03  -0.03
    32   1    -0.11   0.09   0.02     0.44  -0.22  -0.09     0.10   0.01  -0.01
    33   1     0.02  -0.04  -0.05     0.23  -0.09   0.07     0.07  -0.03   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    287.8819               323.1799               348.5909
 Red. masses --      3.6294                 2.9641                 3.2217
 Frc consts  --      0.1772                 0.1824                 0.2307
 IR Inten    --      0.6678                 0.6833                 1.0830
 RamAct Fr= 1--      1.9452                 0.4657                 2.2147
  Dep-P Fr= 1--      0.0650                 0.6703                 0.7168
  Dep-U Fr= 1--      0.1220                 0.8026                 0.8350
 Alpha2 Fr= 1--      0.0371                 0.0007                 0.0013
 Beta2  Fr= 1--      0.0396                 0.0623                 0.3082
 AlphaG Fr= 1--      0.0145                 0.0011                 0.0059
 Gamma2 Fr= 1--      0.0272                -0.1217                 0.3443
 Delta2 Fr= 1--     -0.0748                -0.3304                -0.2386
 Raman1 Fr= 1--       7.781                  1.863                  8.859
 ROA1   Fr= 1--       0.217                -22.260                 25.419
 CID1   Fr= 1--       0.028                -11.949                  2.869
 Raman2 Fr= 1--       0.475                  0.748                  3.699
 ROA2   Fr= 1--       1.250                 -0.278                 10.173
 CID2   Fr= 1--       2.634                 -0.372                  2.750
 Raman3 Fr= 1--       0.949                  1.495                  7.397
 ROA3   Fr= 1--       0.217                -22.260                 25.419
 CID3   Fr= 1--       0.228                -14.888                  3.436
 RC180  Fr= 1--      -0.756                  0.605                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.08     0.03   0.03  -0.08    -0.07   0.07   0.02
     2   6     0.01  -0.04  -0.05     0.02   0.04  -0.07    -0.05   0.18   0.00
     3   6    -0.04  -0.01  -0.07     0.07  -0.04  -0.04    -0.01  -0.15   0.03
     4   6    -0.07  -0.02  -0.04     0.07  -0.05  -0.03     0.02  -0.13  -0.00
     5   6    -0.06  -0.01  -0.05     0.06  -0.03  -0.05     0.06  -0.11   0.02
     6   6    -0.03  -0.03  -0.05     0.06   0.02  -0.08     0.00   0.08   0.03
     7   6     0.04   0.07   0.04    -0.00   0.03   0.15    -0.02   0.07  -0.07
     8   6     0.10   0.09   0.04    -0.05  -0.09   0.05    -0.04  -0.01  -0.08
     9   6     0.02   0.11   0.01     0.01  -0.08   0.01     0.15  -0.07   0.06
    10   6     0.19  -0.11   0.06    -0.12   0.08  -0.07    -0.02  -0.09   0.00
    11   6    -0.09  -0.02   0.08     0.04   0.04   0.07    -0.02  -0.00  -0.01
    12   6    -0.06   0.02   0.09     0.01   0.05   0.09    -0.03   0.05  -0.01
    13   8    -0.09   0.17   0.03    -0.11   0.10   0.03    -0.05   0.07  -0.02
    14   8     0.05  -0.06   0.01     0.01  -0.07   0.02    -0.06   0.07   0.01
    15   1    -0.04  -0.03  -0.07     0.04   0.06  -0.09    -0.14   0.08   0.05
    16   1    -0.01   0.01  -0.06     0.07  -0.06  -0.03    -0.02  -0.25   0.04
    17   1    -0.05   0.00  -0.06     0.06  -0.03  -0.05     0.13  -0.16   0.02
    18   1    -0.06  -0.04  -0.07     0.06   0.04  -0.08     0.04   0.12   0.04
    19   1     0.08   0.14   0.06     0.13   0.28   0.20    -0.08   0.04  -0.10
    20   1    -0.08   0.06   0.08    -0.06  -0.07   0.41     0.13   0.05  -0.07
    21   1     0.12   0.10   0.05     0.00  -0.15   0.07    -0.09   0.02  -0.10
    22   1     0.01   0.14   0.00     0.12  -0.07   0.05     0.08  -0.15   0.04
    23   1    -0.02   0.05  -0.03    -0.06  -0.09   0.07     0.35   0.17   0.11
    24   1    -0.01   0.17  -0.01     0.01  -0.09  -0.10     0.24  -0.31   0.21
    25   1     0.18  -0.05   0.06    -0.20  -0.01  -0.11     0.02  -0.04   0.02
    26   1     0.41  -0.17   0.22    -0.26   0.15  -0.25     0.07  -0.13   0.10
    27   1     0.08  -0.33  -0.04     0.03   0.29  -0.02    -0.09  -0.21  -0.04
    28   1    -0.17   0.03   0.08    -0.04   0.10   0.06    -0.06   0.00  -0.01
    29   6     0.02  -0.14  -0.02    -0.03  -0.04  -0.02     0.10  -0.02  -0.00
    30   1     0.11   0.02  -0.11    -0.08  -0.09  -0.08    -0.08   0.05   0.06
    31   1     0.12  -0.04  -0.11    -0.01  -0.02  -0.03     0.19   0.06  -0.04
    32   1    -0.03  -0.23   0.03    -0.14  -0.12   0.03     0.13   0.00  -0.02
    33   1     0.06  -0.27  -0.07    -0.03  -0.04  -0.16     0.14  -0.14   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    385.3789               411.0532               418.5925
 Red. masses --      2.6684                 3.0932                 2.8294
 Frc consts  --      0.2335                 0.3079                 0.2921
 IR Inten    --      0.3486                 3.2350                 0.0460
 RamAct Fr= 1--      0.5384                 4.2534                 0.1610
  Dep-P Fr= 1--      0.0870                 0.1503                 0.5227
  Dep-U Fr= 1--      0.1600                 0.2613                 0.6865
 Alpha2 Fr= 1--      0.0097                 0.0657                 0.0007
 Beta2  Fr= 1--      0.0144                 0.1852                 0.0184
 AlphaG Fr= 1--     -0.0019                -0.0351                 0.0127
 Gamma2 Fr= 1--     -0.3049                -0.0067                -0.3621
 Delta2 Fr= 1--     -0.0627                 0.2592                -0.0197
 Raman1 Fr= 1--       2.153                 17.013                  0.644
 ROA1   Fr= 1--     -31.276                  7.651                -35.395
 CID1   Fr= 1--     -14.523                  0.450                -54.954
 Raman2 Fr= 1--       0.172                  2.223                  0.221
 ROA2   Fr= 1--      -6.816                 -2.234                 -8.533
 CID2   Fr= 1--     -39.556                 -1.005                -38.596
 Raman3 Fr= 1--       0.345                  4.446                  0.442
 ROA3   Fr= 1--     -31.276                  7.651                -35.395
 CID3   Fr= 1--     -90.756                  1.721                -80.044
 RC180  Fr= 1--      -0.680                 -0.477                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.00   0.08     0.00   0.07  -0.08    -0.07   0.18  -0.06
     2   6     0.03   0.04   0.12     0.03   0.03  -0.06    -0.01  -0.00   0.02
     3   6    -0.06  -0.02  -0.09     0.03  -0.05   0.05     0.05  -0.18   0.07
     4   6    -0.00  -0.04  -0.10    -0.03  -0.08   0.08     0.01  -0.02  -0.01
     5   6     0.09  -0.00  -0.06    -0.05  -0.01   0.06    -0.04   0.17  -0.08
     6   6     0.07   0.07   0.08    -0.05   0.02  -0.03     0.06  -0.16   0.08
     7   6     0.07  -0.08  -0.09     0.08  -0.02   0.05     0.00  -0.05  -0.01
     8   6     0.07  -0.03  -0.06     0.12  -0.06  -0.00    -0.01   0.01   0.05
     9   6    -0.10  -0.04  -0.04    -0.09  -0.07  -0.02    -0.00   0.04  -0.02
    10   6     0.02   0.10   0.03     0.08   0.12   0.04    -0.01  -0.01  -0.01
    11   6    -0.03  -0.02   0.01    -0.06  -0.07  -0.00     0.01   0.01  -0.00
    12   6    -0.01   0.01   0.06    -0.06  -0.01  -0.09     0.01   0.01   0.01
    13   8    -0.06   0.07   0.03     0.03   0.01  -0.07    -0.01   0.00   0.01
    14   8     0.02  -0.04   0.03    -0.08   0.15  -0.01     0.00  -0.01   0.00
    15   1    -0.15  -0.04   0.15    -0.00   0.14  -0.12    -0.14   0.39  -0.14
    16   1    -0.13  -0.03  -0.14     0.10  -0.05   0.09     0.09  -0.38   0.14
    17   1     0.21  -0.01  -0.12    -0.07   0.01   0.06    -0.10   0.38  -0.17
    18   1     0.15   0.12   0.12    -0.12  -0.01  -0.07     0.13  -0.35   0.17
    19   1    -0.08  -0.35  -0.15     0.13   0.11   0.08     0.00  -0.20  -0.02
    20   1     0.24   0.00  -0.34     0.05  -0.06   0.18     0.03   0.00  -0.16
    21   1     0.04   0.00  -0.07     0.16  -0.08   0.01    -0.01   0.01   0.05
    22   1    -0.17  -0.13  -0.06    -0.14  -0.17  -0.03     0.01   0.14  -0.02
    23   1    -0.19  -0.15  -0.05    -0.24  -0.23  -0.03    -0.00  -0.01  -0.07
    24   1    -0.17   0.13   0.02    -0.20   0.18   0.02     0.00   0.04  -0.07
    25   1     0.13   0.17   0.08     0.15   0.19   0.07    -0.06  -0.05  -0.04
    26   1    -0.17   0.10   0.03    -0.15   0.14   0.01     0.04  -0.00  -0.04
    27   1     0.05   0.20   0.11     0.16   0.27   0.11     0.02  -0.01  -0.04
    28   1    -0.13   0.00   0.03     0.02  -0.13  -0.00    -0.01   0.02  -0.00
    29   6    -0.03  -0.02   0.01     0.05  -0.09   0.04     0.00   0.01  -0.01
    30   1     0.02  -0.02  -0.04     0.04   0.17   0.17    -0.02  -0.02  -0.02
    31   1    -0.02  -0.02   0.04     0.11  -0.02  -0.03     0.00   0.01   0.01
    32   1    -0.07  -0.02   0.02     0.13  -0.07   0.02    -0.01   0.02  -0.00
    33   1    -0.03  -0.03  -0.02     0.08  -0.19   0.15     0.00   0.02  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.6792               478.2506               511.3029
 Red. masses --      2.0767                 3.8604                 3.0577
 Frc consts  --      0.2207                 0.5202                 0.4710
 IR Inten    --      0.6577                11.4353                 1.6194
 RamAct Fr= 1--      0.4820                 1.1935                 0.4517
  Dep-P Fr= 1--      0.3856                 0.2236                 0.7111
  Dep-U Fr= 1--      0.5566                 0.3654                 0.8312
 Alpha2 Fr= 1--      0.0038                 0.0152                 0.0003
 Beta2  Fr= 1--      0.0447                 0.0727                 0.0626
 AlphaG Fr= 1--     -0.0145                -0.0037                -0.0004
 Gamma2 Fr= 1--     -0.1788                -0.2313                 0.0348
 Delta2 Fr= 1--     -0.0420                 0.1957                 0.1315
 Raman1 Fr= 1--       1.928                  4.774                  1.807
 ROA1   Fr= 1--     -18.508                -15.945                  7.552
 CID1   Fr= 1--      -9.600                 -3.340                  4.180
 Raman2 Fr= 1--       0.537                  0.872                  0.751
 ROA2   Fr= 1--      -3.955                 -7.117                 -0.215
 CID2   Fr= 1--      -7.371                 -8.159                 -0.287
 Raman3 Fr= 1--       1.073                  1.745                  1.502
 ROA3   Fr= 1--     -18.508                -15.945                  7.552
 CID3   Fr= 1--     -17.247                 -9.140                  5.029
 RC180  Fr= 1--       0.113                 -0.269                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.10   0.06  -0.02     0.02  -0.04  -0.03
     2   6     0.00   0.02  -0.01    -0.12   0.00  -0.03     0.03   0.18  -0.08
     3   6     0.01   0.01  -0.01    -0.05  -0.06   0.06     0.01  -0.07   0.01
     4   6     0.02  -0.06   0.02     0.04  -0.09   0.05    -0.13   0.12  -0.03
     5   6     0.03  -0.07   0.02    -0.06  -0.12   0.02    -0.02  -0.04   0.08
     6   6    -0.02   0.08  -0.03    -0.13   0.06  -0.08    -0.01  -0.01   0.04
     7   6     0.03  -0.11   0.01    -0.06  -0.08   0.03     0.10   0.03   0.00
     8   6    -0.04   0.00   0.19     0.10  -0.02   0.02     0.01  -0.04   0.07
     9   6     0.01   0.11  -0.04    -0.03  -0.01  -0.01     0.00  -0.02  -0.01
    10   6    -0.03  -0.03  -0.04     0.13   0.04   0.04    -0.01   0.01  -0.01
    11   6     0.00  -0.02   0.01     0.08   0.13  -0.04    -0.13   0.03  -0.08
    12   6    -0.00   0.01  -0.02     0.11   0.07   0.06    -0.10  -0.04   0.03
    13   8    -0.01   0.02  -0.02    -0.02  -0.06   0.05     0.04  -0.03   0.08
    14   8    -0.04   0.05   0.00     0.06  -0.10  -0.01     0.06  -0.09  -0.03
    15   1     0.01  -0.01   0.01    -0.08   0.12  -0.07     0.05  -0.25   0.08
    16   1    -0.01   0.05  -0.03    -0.09  -0.06   0.03     0.15  -0.24   0.14
    17   1     0.04  -0.11   0.04    -0.13  -0.13   0.06     0.08  -0.25   0.15
    18   1    -0.04   0.15  -0.06    -0.15   0.15  -0.11    -0.01  -0.25   0.08
    19   1     0.09  -0.48   0.02    -0.07  -0.10   0.03     0.19  -0.06   0.03
    20   1     0.12   0.00  -0.32    -0.06  -0.06  -0.01     0.22   0.04  -0.03
    21   1    -0.01  -0.01   0.20     0.17  -0.03   0.04     0.00  -0.04   0.07
    22   1     0.04   0.42  -0.04    -0.08  -0.04  -0.03    -0.00   0.07  -0.01
    23   1     0.03  -0.04  -0.21    -0.12  -0.14  -0.05     0.01  -0.07  -0.07
    24   1     0.03   0.07  -0.20    -0.10   0.16   0.01     0.00  -0.01  -0.04
    25   1    -0.25  -0.15  -0.14     0.20   0.07   0.07    -0.11  -0.00  -0.06
    26   1     0.10   0.02  -0.16     0.07   0.04   0.06    -0.05   0.04  -0.08
    27   1     0.08   0.00  -0.13     0.11   0.06   0.08     0.09   0.10  -0.04
    28   1     0.01  -0.03   0.01     0.03   0.24  -0.06    -0.12   0.06  -0.09
    29   6     0.02  -0.03   0.01     0.06   0.18  -0.11    -0.00   0.09  -0.05
    30   1    -0.05   0.02   0.07    -0.27  -0.26  -0.21     0.40   0.19  -0.20
    31   1     0.04  -0.01  -0.01     0.07   0.18  -0.08     0.03   0.11  -0.02
    32   1     0.03  -0.04   0.01     0.04   0.20  -0.12     0.06   0.19  -0.10
    33   1     0.03  -0.06   0.02     0.06   0.17  -0.12     0.02   0.03   0.08
                     22                     23                     24
                      A                      A                      A
 Frequencies --    590.5269               617.6282               641.8112
 Red. masses --      2.0771                 1.7256                 3.4231
 Frc consts  --      0.4268                 0.3878                 0.8308
 IR Inten    --     47.1145                64.6213                21.7729
 RamAct Fr= 1--      1.7007                 0.8431                 3.5275
  Dep-P Fr= 1--      0.2509                 0.7481                 0.6042
  Dep-U Fr= 1--      0.4011                 0.8559                 0.7532
 Alpha2 Fr= 1--      0.0201                 0.0000                 0.0095
 Beta2  Fr= 1--      0.1137                 0.1203                 0.4428
 AlphaG Fr= 1--     -0.0090                 0.0010                -0.0347
 Gamma2 Fr= 1--     -0.4743                -1.3321                -0.2676
 Delta2 Fr= 1--      0.2046                -0.4814                 0.0506
 Raman1 Fr= 1--       6.803                  3.372                 14.110
 ROA1   Fr= 1--     -38.983               -143.290                -24.071
 CID1   Fr= 1--      -5.731                -42.489                 -1.706
 Raman2 Fr= 1--       1.364                  1.443                  5.314
 ROA2   Fr= 1--     -13.019                -28.120                 -6.828
 CID2   Fr= 1--      -9.542                -19.484                 -1.285
 Raman3 Fr= 1--       2.729                  2.886                 10.628
 ROA3   Fr= 1--     -38.983               -143.290                -24.071
 CID3   Fr= 1--     -14.287                -49.642                 -2.265
 RC180  Fr= 1--      -0.198                  0.712                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.03    -0.01   0.03   0.03    -0.08  -0.07  -0.07
     2   6     0.08  -0.12   0.05    -0.08   0.02  -0.02     0.01   0.00  -0.06
     3   6     0.01   0.00   0.00     0.01   0.00   0.05    -0.12   0.02   0.10
     4   6     0.02  -0.14   0.07     0.06   0.07  -0.02    -0.02   0.03   0.05
     5   6     0.03   0.02   0.05     0.03  -0.03  -0.04     0.07   0.08   0.10
     6   6     0.02   0.04   0.00     0.01  -0.00  -0.06     0.08  -0.02  -0.06
     7   6     0.02   0.01  -0.01    -0.08  -0.05   0.02     0.02   0.00  -0.02
     8   6    -0.02   0.02  -0.02     0.02   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.01   0.01    -0.00   0.00  -0.00
    11   6    -0.07  -0.01  -0.09     0.09  -0.01   0.00     0.03  -0.12  -0.15
    12   6    -0.08  -0.03   0.03    -0.03  -0.06  -0.00     0.02  -0.11   0.01
    13   8    -0.02   0.02   0.04    -0.03   0.04  -0.04    -0.05   0.14  -0.09
    14   8    -0.00  -0.05   0.00    -0.06  -0.02   0.05     0.06  -0.02   0.17
    15   1    -0.07   0.30  -0.14     0.08  -0.06   0.03    -0.01  -0.12  -0.08
    16   1    -0.02   0.28  -0.08    -0.01  -0.13   0.07    -0.04   0.04   0.14
    17   1    -0.03   0.27  -0.07     0.01  -0.15   0.04     0.03   0.04   0.15
    18   1    -0.09   0.30  -0.12     0.09  -0.06   0.00     0.03  -0.11  -0.08
    19   1     0.01   0.06  -0.01    -0.10  -0.06   0.01     0.04  -0.03  -0.01
    20   1    -0.05  -0.00   0.04    -0.08  -0.03  -0.02     0.03   0.01  -0.04
    21   1    -0.06   0.03  -0.03     0.06  -0.01   0.02    -0.01   0.00  -0.00
    22   1     0.01  -0.00   0.01    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    23   1     0.02   0.06   0.03    -0.02  -0.03  -0.01     0.00  -0.01  -0.01
    24   1     0.01  -0.02   0.00    -0.02   0.04   0.00     0.00  -0.00  -0.00
    25   1    -0.04  -0.01  -0.01     0.09   0.01   0.03    -0.01   0.00  -0.01
    26   1    -0.03  -0.02  -0.00     0.05  -0.00   0.03    -0.01   0.00  -0.01
    27   1    -0.05  -0.03  -0.01     0.00  -0.02   0.03     0.01   0.01  -0.00
    28   1    -0.05   0.06  -0.12     0.13  -0.03  -0.00     0.07  -0.05  -0.18
    29   6     0.02   0.07  -0.06     0.00   0.01  -0.00     0.01   0.04  -0.05
    30   1     0.51   0.31  -0.05     0.72   0.44   0.23    -0.42  -0.40   0.36
    31   1     0.07   0.10   0.02    -0.08  -0.07   0.06    -0.05  -0.07   0.20
    32   1     0.10   0.25  -0.14    -0.06   0.00   0.01     0.04   0.32  -0.15
    33   1     0.04   0.01   0.11    -0.04   0.13  -0.08    -0.02   0.13   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4485               715.1362               762.7542
 Red. masses --      5.2377                 3.3623                 3.7028
 Frc consts  --      1.3665                 1.0131                 1.2693
 IR Inten    --      6.7686                31.7334                 5.1818
 RamAct Fr= 1--      4.7996                 1.7808                17.2933
  Dep-P Fr= 1--      0.5384                 0.1432                 0.0448
  Dep-U Fr= 1--      0.6999                 0.2505                 0.0858
 Alpha2 Fr= 1--      0.0196                 0.0280                 0.3458
 Beta2  Fr= 1--      0.5599                 0.0744                 0.2473
 AlphaG Fr= 1--     -0.0216                 0.0141                 0.1947
 Gamma2 Fr= 1--      0.1700                 1.3531                 0.2921
 Delta2 Fr= 1--     -0.4463                 0.2004                -0.4528
 Raman1 Fr= 1--      19.199                  7.123                 69.173
 ROA1   Fr= 1--       2.034                136.307                 13.549
 CID1   Fr= 1--       0.106                 19.136                  0.196
 Raman2 Fr= 1--       6.719                  0.892                  2.967
 ROA2   Fr= 1--       7.650                 30.870                 10.633
 CID2   Fr= 1--       1.139                 34.595                  3.583
 Raman3 Fr= 1--      13.437                  1.785                  5.935
 ROA3   Fr= 1--       2.034                136.307                 13.549
 CID3   Fr= 1--       0.151                 76.377                  2.283
 RC180  Fr= 1--       0.400                 -0.499                 -0.828
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.13    -0.07  -0.13  -0.03    -0.07   0.07  -0.11
     2   6    -0.01  -0.04  -0.07     0.04   0.08  -0.03     0.13  -0.18   0.08
     3   6    -0.20  -0.01   0.14    -0.12   0.02  -0.06     0.00  -0.14  -0.02
     4   6     0.01   0.04   0.07    -0.02  -0.10   0.04    -0.11   0.18  -0.08
     5   6     0.21   0.10   0.11    -0.09   0.05   0.02     0.01  -0.08   0.10
     6   6     0.23   0.01  -0.17    -0.05  -0.07   0.08    -0.05   0.14   0.03
     7   6    -0.02  -0.03  -0.01     0.14   0.11  -0.04     0.09  -0.04   0.00
     8   6    -0.00   0.01  -0.02     0.00  -0.02   0.04     0.00   0.02  -0.06
     9   6    -0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.00   0.07   0.01
    10   6     0.01   0.00  -0.00    -0.02  -0.00   0.00    -0.08  -0.03  -0.02
    11   6    -0.02   0.08   0.11     0.11   0.05   0.07     0.04   0.05   0.07
    12   6    -0.02   0.12   0.01     0.20   0.06  -0.01     0.08  -0.02  -0.03
    13   8     0.04  -0.10   0.10    -0.05  -0.03  -0.08     0.00  -0.01  -0.07
    14   8    -0.03   0.02  -0.14    -0.08  -0.04   0.04    -0.01  -0.02   0.05
    15   1    -0.11  -0.09  -0.18    -0.18  -0.14   0.03    -0.22   0.22  -0.12
    16   1    -0.15  -0.01   0.17    -0.16   0.15  -0.11     0.11  -0.34   0.10
    17   1     0.13   0.09   0.15    -0.14   0.21  -0.05     0.15  -0.32   0.16
    18   1     0.19   0.00  -0.19    -0.14  -0.12   0.03    -0.17   0.24  -0.06
    19   1    -0.05  -0.13  -0.03     0.19   0.04  -0.02     0.06   0.09  -0.00
    20   1     0.01   0.01  -0.12     0.22   0.11  -0.05    -0.02  -0.08   0.13
    21   1     0.01   0.01  -0.01    -0.07   0.00   0.01    -0.04   0.04  -0.07
    22   1    -0.00  -0.02  -0.00     0.01   0.02  -0.00    -0.00  -0.00   0.01
    23   1    -0.01   0.01   0.01     0.02  -0.03  -0.03    -0.00   0.12   0.06
    24   1    -0.00   0.00   0.00     0.01  -0.06  -0.02    -0.00   0.07   0.05
    25   1     0.04   0.01   0.01    -0.13  -0.00  -0.05    -0.03  -0.01   0.00
    26   1     0.01  -0.00   0.02    -0.06   0.02  -0.06    -0.10  -0.04   0.01
    27   1    -0.02  -0.02   0.01     0.10   0.08  -0.04    -0.11  -0.05   0.00
    28   1    -0.04   0.03   0.13     0.05   0.06   0.08     0.00  -0.01   0.10
    29   6    -0.01  -0.05   0.07     0.03   0.03  -0.01     0.01   0.02   0.01
    30   1     0.14   0.22  -0.38     0.46   0.25   0.26     0.09  -0.02   0.23
    31   1     0.03   0.02  -0.13    -0.01   0.02  -0.08    -0.05   0.01  -0.11
    32   1    -0.03  -0.28   0.15    -0.04  -0.11   0.06    -0.08  -0.18   0.10
    33   1     0.01  -0.12  -0.04     0.01   0.09  -0.17    -0.01   0.09  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.3050               827.4627               838.5757
 Red. masses --      2.3871                 3.2115                 2.7485
 Frc consts  --      0.8963                 1.2956                 1.1388
 IR Inten    --     17.1934                 9.4053                 0.7559
 RamAct Fr= 1--      8.2082                 6.6784                30.2474
  Dep-P Fr= 1--      0.0803                 0.1838                 0.0559
  Dep-U Fr= 1--      0.1487                 0.3106                 0.1059
 Alpha2 Fr= 1--      0.1508                 0.0946                 0.5891
 Beta2  Fr= 1--      0.2034                 0.3457                 0.5337
 AlphaG Fr= 1--      0.0610                 0.0365                 0.2210
 Gamma2 Fr= 1--      2.4753                -1.6567                 1.5841
 Delta2 Fr= 1--      1.5016                -0.8227                -0.0555
 Raman1 Fr= 1--      32.833                 26.713                120.990
 ROA1   Fr= 1--     285.681               -185.367                150.294
 CID1   Fr= 1--       8.701                 -6.939                  1.242
 Raman2 Fr= 1--       2.441                  4.148                  6.405
 ROA2   Fr= 1--      47.395                -33.179                 38.461
 CID2   Fr= 1--      19.414                 -7.998                  6.005
 Raman3 Fr= 1--       4.883                  8.296                 12.809
 ROA3   Fr= 1--     285.681               -185.367                150.294
 CID3   Fr= 1--      58.509                -22.343                 11.733
 RC180  Fr= 1--      -0.703                 -0.379                 -0.788
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.04     0.05   0.02  -0.01    -0.03   0.03   0.07
     2   6     0.00   0.02  -0.01    -0.00  -0.06   0.01     0.02  -0.08   0.03
     3   6     0.02   0.05  -0.05     0.06  -0.01   0.00    -0.05   0.00   0.09
     4   6    -0.02  -0.08   0.03    -0.06   0.08  -0.04     0.03   0.06  -0.03
     5   6     0.00   0.09   0.03     0.04   0.00   0.05    -0.05  -0.02  -0.06
     6   6    -0.00   0.05   0.03     0.03   0.02   0.01    -0.06   0.01  -0.05
     7   6    -0.03  -0.14   0.05    -0.14   0.10  -0.04     0.12   0.06  -0.06
     8   6     0.01   0.01  -0.08    -0.05   0.02   0.10     0.01  -0.01   0.02
     9   6     0.01   0.10   0.02    -0.02  -0.17  -0.04     0.00  -0.00   0.01
    10   6    -0.05  -0.02  -0.03     0.11   0.05   0.04    -0.02  -0.02   0.01
    11   6    -0.05  -0.05  -0.06    -0.10  -0.02  -0.06     0.11  -0.10  -0.12
    12   6     0.15   0.11   0.03     0.20   0.10   0.01     0.02   0.10   0.06
    13   8    -0.05  -0.02  -0.00    -0.04  -0.03  -0.04    -0.04   0.01   0.10
    14   8    -0.04  -0.02  -0.01    -0.03  -0.04   0.02    -0.03   0.04  -0.08
    15   1     0.14  -0.34   0.11     0.05   0.17  -0.10    -0.04   0.15   0.01
    16   1     0.17  -0.15   0.09     0.14  -0.01   0.05    -0.12  -0.09   0.07
    17   1     0.15  -0.23   0.14     0.09  -0.01   0.03    -0.05  -0.32   0.10
    18   1     0.10  -0.38   0.19    -0.03   0.19  -0.06    -0.03  -0.08  -0.01
    19   1    -0.04   0.01   0.05    -0.16  -0.07  -0.05     0.16   0.19  -0.04
    20   1    -0.06  -0.18   0.16    -0.22   0.18  -0.22     0.06   0.01   0.08
    21   1     0.10  -0.01  -0.04    -0.09   0.02   0.08    -0.12   0.05  -0.03
    22   1    -0.01  -0.01   0.02     0.03  -0.01  -0.02    -0.01   0.05   0.00
    23   1    -0.03   0.13   0.08     0.04  -0.18  -0.11     0.01  -0.03  -0.03
    24   1    -0.02   0.16   0.09     0.03  -0.29  -0.15    -0.00   0.01  -0.01
    25   1     0.13   0.02   0.05    -0.06  -0.03  -0.04    -0.16  -0.02  -0.05
    26   1    -0.06  -0.06   0.07     0.25   0.09  -0.05    -0.06   0.01  -0.06
    27   1    -0.21  -0.11   0.06     0.21   0.06  -0.06     0.12   0.07  -0.05
    28   1    -0.12   0.09  -0.09    -0.22   0.13  -0.09     0.10   0.03  -0.17
    29   6    -0.02  -0.03   0.00    -0.04  -0.06   0.03     0.02  -0.10   0.02
    30   1     0.12   0.08  -0.02     0.11   0.03   0.09    -0.00   0.13  -0.30
    31   1     0.06   0.01   0.08     0.07   0.02   0.06    -0.11  -0.30   0.42
    32   1     0.07   0.15  -0.09     0.08   0.11  -0.06    -0.03   0.24  -0.09
    33   1     0.02  -0.12   0.19     0.01  -0.20   0.24    -0.05   0.11   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.5216               855.2642               875.2763
 Red. masses --      1.3363                 2.8232                 1.9520
 Frc consts  --      0.5736                 1.2167                 0.8811
 IR Inten    --      0.7533                 3.2762                16.2860
 RamAct Fr= 1--      1.4215                 9.1065                 2.2574
  Dep-P Fr= 1--      0.3639                 0.2491                 0.2204
  Dep-U Fr= 1--      0.5337                 0.3989                 0.3613
 Alpha2 Fr= 1--      0.0119                 0.1082                 0.0290
 Beta2  Fr= 1--      0.1264                 0.6054                 0.1359
 AlphaG Fr= 1--     -0.0456                -0.0906                 0.0156
 Gamma2 Fr= 1--     -0.2278                -0.5950                 1.8804
 Delta2 Fr= 1--     -0.6069                -1.2991                 1.6588
 Raman1 Fr= 1--       5.686                 36.426                  9.030
 ROA1   Fr= 1--     -41.294                -98.688                233.599
 CID1   Fr= 1--      -7.263                 -2.709                 25.870
 Raman2 Fr= 1--       1.517                  7.265                  1.631
 ROA2   Fr= 1--      -0.613                 -3.887                 31.859
 CID2   Fr= 1--      -0.404                 -0.535                 19.534
 Raman3 Fr= 1--       3.034                 14.531                  3.262
 ROA3   Fr= 1--     -41.294                -98.688                233.599
 CID3   Fr= 1--     -13.609                 -6.792                 71.612
 RC180  Fr= 1--       0.067                 -0.202                 -0.277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07  -0.01    -0.03  -0.00  -0.15     0.03  -0.10  -0.02
     2   6    -0.01   0.01  -0.00     0.04  -0.03   0.02    -0.03   0.11  -0.04
     3   6    -0.02   0.06   0.00     0.02   0.01  -0.15     0.05  -0.08  -0.02
     4   6    -0.00   0.03  -0.01    -0.01  -0.05   0.02    -0.04   0.09  -0.04
     5   6     0.02  -0.09   0.02     0.00   0.06   0.11     0.02  -0.02   0.07
     6   6     0.02  -0.08   0.01    -0.04   0.04   0.12    -0.01  -0.03   0.06
     7   6     0.02  -0.01   0.01    -0.09   0.02   0.01    -0.05  -0.05   0.06
     8   6     0.01  -0.01  -0.02    -0.04   0.03   0.03     0.02  -0.02  -0.03
     9   6     0.00   0.03   0.01    -0.02  -0.08  -0.03     0.01   0.05   0.01
    10   6    -0.02  -0.01  -0.01     0.05   0.04   0.01    -0.01  -0.01  -0.03
    11   6    -0.01  -0.01  -0.03     0.16  -0.05  -0.01     0.06  -0.02  -0.05
    12   6     0.03   0.02   0.01    -0.10  -0.01   0.03     0.03   0.03   0.02
    13   8    -0.01  -0.00   0.00     0.00   0.03   0.07    -0.02   0.00   0.02
    14   8    -0.01  -0.00  -0.00    -0.00   0.05  -0.05    -0.01   0.01  -0.02
    15   1     0.14  -0.36   0.17    -0.01  -0.41   0.07    -0.16   0.43  -0.24
    16   1     0.09  -0.35   0.17     0.23  -0.32   0.05    -0.05   0.43  -0.21
    17   1    -0.19   0.49  -0.21     0.10   0.03   0.08    -0.05   0.28  -0.06
    18   1    -0.14   0.47  -0.21    -0.13  -0.01   0.08    -0.13   0.20  -0.06
    19   1     0.03  -0.02   0.01    -0.14  -0.10  -0.00    -0.05  -0.16   0.05
    20   1     0.06  -0.01   0.01    -0.16   0.08  -0.13     0.07  -0.04  -0.02
    21   1     0.04  -0.02  -0.00    -0.01   0.00   0.04     0.15  -0.07   0.02
    22   1    -0.01  -0.00   0.00     0.03  -0.04  -0.01    -0.01  -0.03   0.00
    23   1    -0.01   0.03   0.02     0.02  -0.04  -0.02    -0.02   0.06   0.05
    24   1    -0.00   0.05   0.02     0.02  -0.17  -0.07    -0.01   0.10   0.06
    25   1     0.02   0.01   0.01     0.02  -0.02  -0.00     0.16   0.04   0.05
    26   1    -0.06  -0.02   0.01     0.16   0.04  -0.00    -0.06  -0.04   0.07
    27   1    -0.03  -0.01   0.01     0.03  -0.01  -0.01    -0.14  -0.05   0.06
    28   1    -0.02   0.02  -0.03     0.25  -0.10  -0.01     0.06   0.03  -0.06
    29   6    -0.01  -0.02   0.01     0.06   0.01  -0.02     0.02  -0.06   0.02
    30   1     0.01   0.01  -0.01    -0.05   0.06  -0.19     0.01   0.04  -0.08
    31   1    -0.00  -0.03   0.06    -0.13  -0.19   0.17    -0.08  -0.18   0.21
    32   1     0.00   0.04  -0.01    -0.10   0.04   0.00    -0.05   0.07  -0.01
    33   1    -0.01  -0.02   0.06    -0.03   0.28  -0.20    -0.04   0.10  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.5048               936.6433               953.8744
 Red. masses --      1.5127                 1.1976                 1.6482
 Frc consts  --      0.7179                 0.6190                 0.8836
 IR Inten    --      1.9102                 1.8660                 0.3741
 RamAct Fr= 1--      2.9150                 1.2483                 4.8508
  Dep-P Fr= 1--      0.7496                 0.4936                 0.7075
  Dep-U Fr= 1--      0.8569                 0.6609                 0.8287
 Alpha2 Fr= 1--      0.0000                 0.0063                 0.0036
 Beta2  Fr= 1--      0.4163                 0.1375                 0.6700
 AlphaG Fr= 1--     -0.0009                -0.0303                 0.0065
 Gamma2 Fr= 1--      1.0412                 0.1954                 1.6138
 Delta2 Fr= 1--      0.2502                 0.6945                -0.4399
 Raman1 Fr= 1--      11.660                  4.993                 19.403
 ROA1   Fr= 1--     107.962                 40.988                140.852
 CID1   Fr= 1--       9.259                  8.209                  7.259
 Raman2 Fr= 1--       4.996                  1.650                  8.040
 ROA2   Fr= 1--      22.987                 -0.865                 42.251
 CID2   Fr= 1--       4.602                 -0.525                  5.255
 Raman3 Fr= 1--       9.991                  3.300                 16.080
 ROA3   Fr= 1--     107.962                 40.988                140.852
 CID3   Fr= 1--      10.806                 12.420                  8.759
 RC180  Fr= 1--       0.714                  0.322                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.02
     2   6    -0.02   0.03  -0.03     0.01  -0.01   0.00     0.02   0.00  -0.00
     3   6    -0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.01  -0.01   0.02
     4   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.00   0.02  -0.01
     5   6     0.04   0.01   0.04    -0.01   0.00  -0.01     0.02  -0.10   0.02
     6   6     0.01   0.01   0.05     0.00  -0.00  -0.01    -0.03   0.08  -0.03
     7   6    -0.03  -0.09  -0.14     0.02   0.00   0.01     0.07  -0.08   0.03
     8   6     0.00  -0.04   0.02    -0.04  -0.01  -0.01    -0.09   0.06  -0.02
     9   6     0.01   0.02   0.06    -0.07  -0.01   0.04    -0.04  -0.04  -0.04
    10   6     0.03   0.00   0.02     0.05  -0.02  -0.06     0.04   0.08   0.00
    11   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.01   0.02    -0.00  -0.00   0.01    -0.01  -0.01   0.03
    16   1    -0.03   0.02  -0.04    -0.01  -0.01   0.01    -0.06   0.05  -0.02
    17   1     0.06   0.15  -0.05    -0.00  -0.05   0.01    -0.17   0.48  -0.21
    18   1     0.00   0.05   0.04    -0.01   0.02  -0.02     0.14  -0.47   0.19
    19   1    -0.02   0.50  -0.12     0.03  -0.02   0.02     0.16   0.02   0.06
    20   1    -0.17  -0.28   0.40     0.05  -0.00   0.02     0.04  -0.11   0.12
    21   1    -0.20   0.22  -0.05     0.18   0.29   0.08    -0.14   0.04  -0.04
    22   1    -0.06   0.35   0.02     0.15   0.41   0.10     0.06  -0.09  -0.00
    23   1     0.00  -0.25  -0.21     0.16   0.10  -0.09     0.04   0.14   0.06
    24   1    -0.03   0.12  -0.10     0.09  -0.40  -0.27     0.04  -0.23  -0.05
    25   1    -0.10  -0.02  -0.04     0.38   0.24   0.10     0.04  -0.08  -0.00
    26   1     0.05   0.03  -0.04    -0.32  -0.09   0.13     0.37   0.08   0.01
    27   1     0.14   0.04  -0.05    -0.05   0.08   0.15    -0.11  -0.13  -0.04
    28   1    -0.01  -0.02   0.01     0.00   0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.03   0.03
    32   1    -0.02  -0.03   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.01
    33   1    -0.00   0.02  -0.03     0.00  -0.00   0.00    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.2554               972.1447               977.0186
 Red. masses --      1.5792                 1.4898                 1.3832
 Frc consts  --      0.8615                 0.8295                 0.7779
 IR Inten    --      0.2341                 0.0678                 0.2151
 RamAct Fr= 1--      1.7764                 2.5922                 0.5894
  Dep-P Fr= 1--      0.6638                 0.6551                 0.7189
  Dep-U Fr= 1--      0.7979                 0.7916                 0.8364
 Alpha2 Fr= 1--      0.0027                 0.0044                 0.0003
 Beta2  Fr= 1--      0.2362                 0.3420                 0.0822
 AlphaG Fr= 1--     -0.0514                -0.0048                 0.0008
 Gamma2 Fr= 1--      0.2046                 0.4291                 0.7200
 Delta2 Fr= 1--     -0.0567                 0.3049                -0.1068
 Raman1 Fr= 1--       7.105                 10.369                  2.358
 ROA1   Fr= 1--      17.827                 50.956                 65.698
 CID1   Fr= 1--       2.509                  4.914                 27.868
 Raman2 Fr= 1--       2.835                  4.104                  0.986
 ROA2   Fr= 1--       5.364                  7.860                 18.133
 CID2   Fr= 1--       1.892                  1.915                 18.392
 Raman3 Fr= 1--       5.669                  8.208                  1.972
 ROA3   Fr= 1--      17.827                 50.956                 65.698
 CID3   Fr= 1--       3.144                  6.208                 33.317
 RC180  Fr= 1--       0.596                  0.583                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00   0.01  -0.01    -0.03   0.10  -0.05
     2   6     0.00   0.03  -0.02    -0.01   0.00  -0.00     0.01  -0.02   0.01
     3   6    -0.01  -0.03   0.03     0.01  -0.02  -0.00     0.03  -0.11   0.04
     4   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02  -0.01
     5   6    -0.03   0.07  -0.04     0.01   0.01   0.01     0.00  -0.01   0.00
     6   6     0.03  -0.09   0.04     0.00  -0.01   0.01    -0.01   0.01   0.00
     7   6     0.05  -0.09   0.02    -0.01  -0.02  -0.01    -0.01   0.03  -0.01
     8   6    -0.08   0.05  -0.02    -0.06  -0.08  -0.03     0.03   0.01   0.01
     9   6    -0.03  -0.03  -0.03    -0.06   0.11  -0.03     0.01  -0.01   0.01
    10   6     0.03   0.09   0.00     0.11  -0.04   0.05    -0.02  -0.02  -0.00
    11   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.02  -0.10   0.07     0.03  -0.08   0.03     0.18  -0.58   0.24
    16   1    -0.08   0.15  -0.06    -0.02   0.09  -0.05    -0.20   0.62  -0.28
    17   1     0.13  -0.42   0.15     0.03  -0.02   0.01    -0.01   0.05  -0.02
    18   1    -0.16   0.51  -0.21    -0.01   0.05  -0.01     0.02  -0.07   0.04
    19   1     0.16   0.03   0.06    -0.03   0.00  -0.01    -0.04   0.01  -0.02
    20   1     0.07  -0.14   0.16    -0.02  -0.04   0.03    -0.04   0.05  -0.05
    21   1    -0.12   0.04  -0.04    -0.21  -0.24  -0.09     0.05   0.04   0.02
    22   1     0.02  -0.07  -0.01     0.11  -0.13   0.05    -0.02   0.04  -0.00
    23   1     0.01   0.07   0.04     0.06   0.49   0.26    -0.01  -0.08  -0.05
    24   1     0.01  -0.13  -0.03     0.06  -0.19   0.09    -0.01   0.04  -0.01
    25   1     0.05  -0.10   0.00    -0.17   0.08  -0.07    -0.01   0.01   0.00
    26   1     0.39   0.07   0.02    -0.16   0.05  -0.14    -0.07  -0.02   0.01
    27   1    -0.17  -0.16  -0.04     0.51   0.28  -0.05    -0.01   0.01   0.01
    28   1    -0.01  -0.01   0.01     0.00   0.01  -0.00     0.01   0.07  -0.03
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.03   0.05
    32   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00   0.02  -0.00
    33   1     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2594              1046.1014              1084.3046
 Red. masses --      1.9160                 2.8189                 2.1112
 Frc consts  --      1.1613                 1.8175                 1.4625
 IR Inten    --      2.1426                 4.4598                57.3510
 RamAct Fr= 1--     14.1582                 0.0510                 4.1177
  Dep-P Fr= 1--      0.2549                 0.7466                 0.6056
  Dep-U Fr= 1--      0.4063                 0.8549                 0.7543
 Alpha2 Fr= 1--      0.1655                 0.0000                 0.0110
 Beta2  Fr= 1--      0.9586                 0.0073                 0.5177
 AlphaG Fr= 1--      0.0583                -0.0001                 0.0450
 Gamma2 Fr= 1--      0.0069                -0.2075                -2.0292
 Delta2 Fr= 1--     -1.8704                 0.1293                 0.6566
 Raman1 Fr= 1--      56.633                  0.204                 16.471
 ROA1   Fr= 1--     -59.188                -15.783               -173.795
 CID1   Fr= 1--      -1.045                -77.412                -10.552
 Raman2 Fr= 1--      11.504                  0.087                  6.212
 ROA2   Fr= 1--      15.130                 -6.015                -53.954
 CID2   Fr= 1--       1.315                -69.020                 -8.685
 Raman3 Fr= 1--      23.007                  0.174                 12.425
 ROA3   Fr= 1--     -59.188                -15.783               -173.795
 CID3   Fr= 1--      -2.573                -90.550                -13.988
 RC180  Fr= 1--      -0.187                  0.710                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05    -0.01  -0.08  -0.18    -0.01  -0.01  -0.02
     2   6    -0.00   0.01   0.02     0.03   0.01  -0.00     0.01   0.01   0.04
     3   6    -0.01   0.01  -0.05    -0.04   0.07   0.19     0.02  -0.00  -0.00
     4   6     0.07   0.01   0.03     0.04   0.01  -0.01    -0.05   0.01   0.03
     5   6    -0.00   0.00  -0.02    -0.01  -0.08  -0.17    -0.02  -0.03  -0.04
     6   6    -0.03   0.00   0.04    -0.05   0.06   0.19     0.05   0.00  -0.04
     7   6     0.01  -0.01   0.00    -0.01  -0.00   0.00    -0.00   0.00   0.03
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.04
     9   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.03
    10   6     0.00   0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.02
    11   6     0.04   0.18  -0.00    -0.01  -0.02  -0.01    -0.05  -0.05   0.19
    12   6    -0.06  -0.05  -0.03     0.01   0.00   0.01     0.04  -0.07   0.04
    13   8     0.03  -0.00  -0.03    -0.00   0.00   0.01     0.01  -0.01  -0.00
    14   8     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.04  -0.09
    15   1    -0.13   0.01  -0.04     0.30  -0.05  -0.36    -0.06  -0.02   0.01
    16   1     0.02  -0.16   0.00     0.21   0.20   0.33     0.16   0.10   0.07
    17   1    -0.00  -0.06   0.02     0.28  -0.04  -0.34    -0.09  -0.01  -0.02
    18   1    -0.01   0.03   0.04     0.20   0.20   0.33     0.19   0.06   0.03
    19   1    -0.03   0.01  -0.01    -0.06   0.00  -0.01    -0.20  -0.03  -0.04
    20   1     0.05  -0.02   0.03    -0.03  -0.00  -0.00     0.19  -0.02   0.02
    21   1    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.12   0.06  -0.07
    22   1    -0.00   0.02   0.00    -0.00   0.01   0.00    -0.02   0.10   0.01
    23   1     0.00  -0.01  -0.01    -0.00  -0.01  -0.00     0.01  -0.07  -0.05
    24   1     0.00  -0.00  -0.01    -0.00   0.01   0.00    -0.01   0.04  -0.03
    25   1    -0.01  -0.01  -0.00    -0.01   0.00  -0.00    -0.05  -0.02  -0.02
    26   1     0.03   0.01  -0.01    -0.00   0.00  -0.00     0.05   0.02  -0.03
    27   1     0.00  -0.01  -0.01     0.01   0.01  -0.00     0.05   0.00  -0.03
    28   1     0.24   0.56  -0.20    -0.07  -0.10   0.03    -0.16   0.29   0.09
    29   6    -0.08  -0.12   0.04    -0.00   0.02   0.01     0.05  -0.01  -0.13
    30   1     0.02  -0.03   0.07    -0.00   0.00  -0.01    -0.01  -0.07   0.29
    31   1     0.11  -0.02   0.22     0.00   0.04  -0.07    -0.03  -0.16   0.31
    32   1     0.13   0.22  -0.12     0.00  -0.06   0.03    -0.03   0.44  -0.27
    33   1    -0.02  -0.28   0.47     0.01  -0.02  -0.04    -0.04   0.27   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.0867              1106.5628              1138.8393
 Red. masses --      1.5807                 1.8056                 2.1587
 Frc consts  --      1.1210                 1.3026                 1.6496
 IR Inten    --      3.6718                52.0604                 6.6869
 RamAct Fr= 1--      2.3448                 5.4348                19.5256
  Dep-P Fr= 1--      0.2455                 0.3447                 0.4718
  Dep-U Fr= 1--      0.3942                 0.5127                 0.6411
 Alpha2 Fr= 1--      0.0281                 0.0485                 0.1093
 Beta2  Fr= 1--      0.1540                 0.4644                 2.0865
 AlphaG Fr= 1--     -0.0049                 0.0534                 0.1366
 Gamma2 Fr= 1--     -1.4438                 2.0312                -1.6813
 Delta2 Fr= 1--      0.5550                 0.9249                -1.0212
 Raman1 Fr= 1--       9.379                 21.739                 78.102
 ROA1   Fr= 1--    -120.847                224.594               -194.087
 CID1   Fr= 1--     -12.885                 10.331                 -2.485
 Raman2 Fr= 1--       1.848                  5.573                 25.038
 ROA2   Fr= 1--     -39.092                 41.350                -32.183
 CID2   Fr= 1--     -21.148                  7.420                 -1.285
 Raman3 Fr= 1--       3.697                 11.146                 50.075
 ROA3   Fr= 1--    -120.847                224.594               -194.087
 CID3   Fr= 1--     -32.688                 20.151                 -3.876
 RC180  Fr= 1--      -0.212                  0.025                  0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.04     0.01  -0.00  -0.03    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.05     0.01   0.00   0.05    -0.04   0.05  -0.00
     3   6    -0.03   0.02   0.03     0.02   0.01  -0.00     0.03   0.00  -0.01
     4   6    -0.03  -0.06  -0.02    -0.03  -0.04   0.03    -0.01   0.00   0.02
     5   6     0.01   0.02   0.01    -0.03  -0.01  -0.02    -0.02  -0.01  -0.01
     6   6     0.00   0.01   0.02     0.02  -0.01  -0.05     0.03  -0.01  -0.01
     7   6    -0.01  -0.01  -0.05    -0.00   0.02   0.07     0.03  -0.09   0.04
     8   6     0.02   0.02   0.05    -0.03  -0.03  -0.08     0.14   0.19  -0.02
     9   6    -0.01  -0.00  -0.04     0.01   0.00   0.06    -0.05  -0.07  -0.06
    10   6    -0.01  -0.01  -0.02     0.02   0.02   0.03    -0.07  -0.08   0.08
    11   6    -0.06   0.10  -0.01    -0.04   0.08  -0.10    -0.01  -0.00  -0.00
    12   6    -0.02  -0.02  -0.02    -0.03   0.05  -0.04    -0.01   0.02  -0.01
    13   8     0.02  -0.01  -0.03     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.01  -0.01   0.01     0.02  -0.03   0.07     0.00  -0.01   0.02
    15   1     0.13   0.04  -0.02     0.01  -0.02  -0.02    -0.14   0.02   0.03
    16   1    -0.07  -0.06   0.03     0.18   0.06   0.09     0.16   0.08   0.05
    17   1     0.18  -0.02  -0.06    -0.15  -0.06   0.07    -0.14  -0.02   0.06
    18   1    -0.03  -0.00   0.00     0.07  -0.01  -0.02     0.17   0.14   0.05
    19   1     0.25   0.05   0.05    -0.38  -0.10  -0.06    -0.11   0.07  -0.01
    20   1    -0.30   0.01  -0.02     0.42  -0.00   0.01    -0.22  -0.04  -0.00
    21   1     0.16  -0.08   0.10    -0.22   0.09  -0.15     0.11   0.48  -0.02
    22   1     0.03  -0.15  -0.02    -0.05   0.22   0.02     0.11  -0.13  -0.01
    23   1    -0.01   0.09   0.07     0.01  -0.14  -0.11     0.08   0.12   0.01
    24   1     0.01  -0.05   0.05    -0.02   0.08  -0.07     0.05  -0.29  -0.08
    25   1     0.07   0.03   0.02    -0.09  -0.04  -0.03    -0.41  -0.02  -0.07
    26   1    -0.08  -0.03   0.04     0.11   0.05  -0.05    -0.23   0.01  -0.14
    27   1    -0.05   0.00   0.04     0.08   0.00  -0.06     0.20   0.10  -0.05
    28   1    -0.33   0.28  -0.00    -0.11  -0.00  -0.05     0.06  -0.04  -0.00
    29   6     0.10  -0.06   0.02     0.07  -0.04   0.07     0.01  -0.00  -0.00
    30   1     0.00  -0.04   0.08    -0.00   0.02  -0.14    -0.00   0.02  -0.08
    31   1    -0.18  -0.33   0.28    -0.15  -0.21   0.08    -0.01  -0.02   0.01
    32   1    -0.22   0.02   0.07    -0.17  -0.18   0.17    -0.01   0.00   0.00
    33   1    -0.04   0.34  -0.20    -0.01   0.20  -0.23    -0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.0429              1161.6356              1193.8493
 Red. masses --      1.5753                 2.0670                 1.7728
 Frc consts  --      1.2233                 1.6434                 1.4887
 IR Inten    --     35.0019               161.4685                 9.4992
 RamAct Fr= 1--      9.5463                 1.7980                 4.3075
  Dep-P Fr= 1--      0.1443                 0.6195                 0.4857
  Dep-U Fr= 1--      0.2522                 0.7651                 0.6539
 Alpha2 Fr= 1--      0.1497                 0.0043                 0.0227
 Beta2  Fr= 1--      0.4013                 0.2293                 0.4694
 AlphaG Fr= 1--      0.1070                -0.0182                 0.0367
 Gamma2 Fr= 1--      2.6642                -2.5222                -0.9238
 Delta2 Fr= 1--      0.9853                -0.9081                 0.6596
 Raman1 Fr= 1--      38.185                  7.192                 17.230
 ROA1   Fr= 1--     287.289               -271.191                -67.580
 CID1   Fr= 1--       7.524                -37.707                 -3.922
 Raman2 Fr= 1--       4.816                  2.751                  5.633
 ROA2   Fr= 1--      56.057                -53.269                -27.448
 CID2   Fr= 1--      11.641                -19.361                 -4.873
 Raman3 Fr= 1--       9.631                  5.503                 11.266
 ROA3   Fr= 1--     287.289               -271.191                -67.580
 CID3   Fr= 1--      29.829                -49.284                 -5.998
 RC180  Fr= 1--      -0.496                  0.530                  0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01   0.00     0.05   0.02   0.01     0.00   0.00  -0.00
     2   6     0.02   0.00   0.01    -0.01  -0.00  -0.01     0.01   0.00   0.01
     3   6     0.04   0.01  -0.01    -0.05  -0.02   0.01    -0.00  -0.00  -0.00
     4   6    -0.04   0.00   0.03    -0.05   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.03  -0.03     0.04   0.00  -0.01    -0.00  -0.00  -0.00
     6   6     0.08   0.02  -0.01    -0.03  -0.01  -0.00     0.00  -0.00  -0.01
     7   6    -0.02   0.01  -0.07     0.00   0.00   0.02    -0.02   0.03  -0.05
     8   6    -0.03  -0.04   0.06     0.00   0.01  -0.02     0.16  -0.11  -0.00
     9   6     0.01   0.02  -0.02    -0.00  -0.00   0.01    -0.11   0.03   0.02
    10   6     0.01   0.02  -0.04    -0.00  -0.00   0.01    -0.08   0.08   0.04
    11   6     0.00  -0.01   0.02    -0.00  -0.03   0.13     0.00   0.00  -0.00
    12   6    -0.02   0.07  -0.04    -0.05   0.13  -0.09    -0.00   0.00  -0.00
    13   8     0.01  -0.01  -0.02     0.02  -0.03  -0.05     0.00  -0.00  -0.00
    14   8     0.01  -0.02   0.07     0.01  -0.04   0.13     0.00  -0.00   0.00
    15   1    -0.36  -0.05   0.18     0.30   0.04  -0.13     0.03   0.00  -0.02
    16   1     0.29   0.15   0.12    -0.24  -0.10  -0.10    -0.01  -0.01  -0.00
    17   1    -0.29  -0.05   0.09     0.33   0.05  -0.19    -0.02  -0.00   0.01
    18   1     0.42   0.19   0.17    -0.17  -0.09  -0.08    -0.01  -0.02  -0.01
    19   1     0.20   0.08   0.01    -0.04  -0.03   0.01    -0.22   0.11  -0.12
    20   1    -0.16  -0.01   0.02     0.05   0.01  -0.01     0.04   0.00  -0.00
    21   1     0.07  -0.18   0.10    -0.02   0.03  -0.02     0.35  -0.25   0.07
    22   1    -0.01  -0.10  -0.02    -0.00   0.03   0.00     0.20   0.21   0.13
    23   1    -0.04   0.05   0.06     0.01  -0.02  -0.02     0.16   0.30   0.04
    24   1    -0.00   0.05   0.08    -0.00  -0.00  -0.02     0.05  -0.33  -0.10
    25   1     0.18   0.03   0.04    -0.04  -0.01  -0.01    -0.16  -0.27  -0.01
    26   1     0.01  -0.03   0.08     0.00   0.01  -0.02     0.34   0.08   0.01
    27   1    -0.11  -0.03   0.05     0.03   0.01  -0.01    -0.20  -0.22  -0.12
    28   1     0.19  -0.10   0.00     0.29  -0.15   0.10     0.00  -0.00  -0.00
    29   6     0.01  -0.01  -0.02     0.01  -0.02  -0.09     0.00  -0.00   0.00
    30   1    -0.01   0.06  -0.23    -0.04   0.12  -0.46    -0.00   0.00  -0.00
    31   1    -0.00  -0.03   0.04     0.04  -0.06   0.18    -0.00  -0.00   0.00
    32   1     0.00   0.06  -0.04     0.03   0.27  -0.20    -0.00  -0.00   0.00
    33   1    -0.01   0.03   0.02    -0.03   0.07   0.14    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8084              1222.7581              1236.6941
 Red. masses --      1.2528                 2.1594                 2.3831
 Frc consts  --      1.0839                 1.9022                 2.1474
 IR Inten    --      2.7453                 9.8056                 1.2664
 RamAct Fr= 1--     59.2016                48.1783                36.3707
  Dep-P Fr= 1--      0.1028                 0.1571                 0.1348
  Dep-U Fr= 1--      0.1864                 0.2715                 0.2376
 Alpha2 Fr= 1--      1.0295                 0.7315                 0.5842
 Beta2  Fr= 1--      1.8394                 2.1798                 1.4401
 AlphaG Fr= 1--      0.0747                -0.0146                 0.1830
 Gamma2 Fr= 1--      2.2877                 1.8711                 1.9363
 Delta2 Fr= 1--     -0.5902                 0.0453                -0.4606
 Raman1 Fr= 1--     236.807                192.713                145.483
 ROA1   Fr= 1--     200.736                181.072                171.146
 CID1   Fr= 1--       0.848                  0.940                  1.176
 Raman2 Fr= 1--      22.073                 26.158                 17.282
 ROA2   Fr= 1--      59.627                 44.543                 50.156
 CID2   Fr= 1--       2.701                  1.703                  2.902
 Raman3 Fr= 1--      44.145                 52.316                 34.563
 ROA3   Fr= 1--     200.736                181.072                171.146
 CID3   Fr= 1--       4.547                  3.461                  4.952
 RC180  Fr= 1--      -0.627                 -0.457                 -0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04    -0.09  -0.04  -0.03     0.04   0.01  -0.01
     2   6     0.04   0.01  -0.00    -0.03  -0.02  -0.00     0.28   0.10  -0.01
     3   6     0.01   0.02   0.03     0.08   0.03   0.01    -0.07   0.00   0.06
     4   6    -0.09  -0.02   0.01     0.22   0.06  -0.03     0.04   0.01  -0.02
     5   6     0.02  -0.01  -0.04     0.06   0.02   0.01    -0.07  -0.04  -0.05
     6   6    -0.01  -0.02  -0.04    -0.08  -0.01   0.04     0.05   0.01   0.01
     7   6    -0.02  -0.01   0.00     0.02   0.01  -0.00    -0.09  -0.05   0.02
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.04
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    11   6     0.04   0.02  -0.01    -0.09  -0.04   0.03     0.01  -0.00   0.00
    12   6     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.00   0.00  -0.01    -0.00  -0.01   0.04    -0.00   0.00   0.01
    15   1    -0.35  -0.01   0.23    -0.48  -0.08   0.18    -0.18  -0.00   0.12
    16   1     0.37   0.22   0.23     0.20   0.09   0.06    -0.34  -0.14  -0.07
    17   1     0.48   0.03  -0.31    -0.01   0.02   0.06    -0.37  -0.07   0.12
    18   1    -0.32  -0.19  -0.22    -0.39  -0.18  -0.12    -0.28  -0.15  -0.19
    19   1    -0.06  -0.01  -0.01     0.03  -0.00  -0.00    -0.48   0.02  -0.11
    20   1    -0.03  -0.01   0.00     0.06  -0.00   0.02    -0.30  -0.02  -0.03
    21   1    -0.00   0.01   0.00     0.00   0.01   0.00    -0.07   0.03   0.01
    22   1     0.00  -0.01  -0.00     0.01  -0.01   0.00    -0.01  -0.06  -0.02
    23   1     0.00   0.01   0.01     0.00   0.02   0.01    -0.02   0.01   0.03
    24   1     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.02   0.04
    25   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04   0.03   0.00
    26   1    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.05  -0.02   0.02
    27   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01   0.02   0.03
    28   1     0.19   0.04  -0.06    -0.49  -0.13   0.17    -0.13  -0.02   0.05
    29   6    -0.01  -0.00   0.02     0.02  -0.00  -0.04    -0.01  -0.00  -0.01
    30   1     0.01  -0.01   0.06    -0.02   0.05  -0.19    -0.01   0.02  -0.07
    31   1     0.01   0.03  -0.04    -0.04  -0.08   0.08     0.01   0.00   0.02
    32   1     0.03  -0.02   0.02    -0.06   0.08  -0.05     0.01   0.01  -0.02
    33   1     0.00  -0.02  -0.01    -0.01   0.06   0.02    -0.00  -0.02   0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.6176              1280.1017              1309.3077
 Red. masses --      1.6167                 1.7461                 1.5939
 Frc consts  --      1.4827                 1.6858                 1.6099
 IR Inten    --      3.1280                 2.3314                 4.2091
 RamAct Fr= 1--      7.5711                 6.7876                 5.1900
  Dep-P Fr= 1--      0.5024                 0.4827                 0.4566
  Dep-U Fr= 1--      0.6688                 0.6511                 0.6269
 Alpha2 Fr= 1--      0.0370                 0.0363                 0.0310
 Beta2  Fr= 1--      0.8439                 0.7366                 0.5423
 AlphaG Fr= 1--     -0.0032                 0.0498                 0.0184
 Gamma2 Fr= 1--     -2.9126                 2.6599                -5.8350
 Delta2 Fr= 1--     -0.0436                 1.5694                -1.7721
 Raman1 Fr= 1--      30.284                 27.151                 20.760
 ROA1   Fr= 1--    -281.008                305.569               -616.869
 CID1   Fr= 1--      -9.279                 11.255                -29.714
 Raman2 Fr= 1--      10.127                  8.839                  6.507
 ROA2   Fr= 1--     -69.554                 51.282               -125.863
 CID2   Fr= 1--      -6.868                  5.802                -19.342
 Raman3 Fr= 1--      20.253                 17.679                 13.015
 ROA3   Fr= 1--    -281.008                305.569               -616.869
 CID3   Fr= 1--     -13.875                 17.284                -47.398
 RC180  Fr= 1--       0.338                  0.302                  0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.04     0.02  -0.01  -0.04    -0.03   0.00   0.03
     2   6    -0.04   0.00   0.08     0.02   0.02   0.02     0.01  -0.02  -0.03
     3   6    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.02   0.02   0.03
     4   6     0.00   0.02   0.04     0.07   0.06   0.10    -0.01  -0.04  -0.08
     5   6     0.03   0.00  -0.02     0.03  -0.01  -0.05    -0.02   0.01   0.03
     6   6    -0.03  -0.02  -0.03    -0.04  -0.01  -0.01     0.03   0.02   0.02
     7   6     0.01  -0.00  -0.06     0.00  -0.01   0.01    -0.02   0.01  -0.01
     8   6    -0.00   0.00   0.15     0.00  -0.00  -0.02    -0.01   0.00  -0.00
     9   6     0.01   0.01  -0.10    -0.00  -0.00   0.02     0.00   0.00  -0.01
    10   6    -0.00  -0.00  -0.05     0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6    -0.03  -0.00  -0.01    -0.16  -0.00  -0.01     0.04   0.08  -0.01
    12   6     0.01   0.00   0.00     0.02   0.06  -0.03    -0.05   0.09  -0.06
    13   8    -0.00   0.00   0.01    -0.02   0.00   0.05    -0.00  -0.00   0.05
    14   8     0.00  -0.00  -0.01     0.02  -0.03  -0.03     0.03  -0.04  -0.03
    15   1     0.14  -0.01  -0.10    -0.21  -0.02   0.09     0.11   0.01  -0.05
    16   1     0.02  -0.00  -0.01    -0.22  -0.13  -0.15     0.10   0.06   0.07
    17   1     0.01  -0.00  -0.00     0.09  -0.01  -0.08    -0.10  -0.01   0.08
    18   1    -0.05  -0.04  -0.05     0.04   0.03   0.03    -0.08  -0.04  -0.04
    19   1    -0.42   0.21  -0.20     0.09  -0.02   0.03    -0.00  -0.02   0.00
    20   1     0.46  -0.15   0.23    -0.19   0.04  -0.06     0.16  -0.04   0.06
    21   1    -0.00   0.25   0.16    -0.03  -0.09  -0.04     0.09   0.08   0.04
    22   1     0.04  -0.33  -0.06    -0.00   0.06   0.01    -0.00  -0.03  -0.01
    23   1    -0.08   0.14   0.15     0.02  -0.02  -0.02    -0.01   0.00   0.01
    24   1     0.03  -0.05   0.18    -0.01   0.01  -0.03     0.00   0.00   0.01
    25   1     0.14   0.05   0.03    -0.00  -0.00  -0.00    -0.03  -0.00  -0.00
    26   1    -0.05  -0.06   0.11     0.00   0.01  -0.01     0.01   0.01  -0.01
    27   1    -0.11   0.02   0.09     0.00  -0.01  -0.01     0.02   0.01  -0.01
    28   1     0.09  -0.01  -0.04     0.61  -0.18  -0.14    -0.05  -0.55   0.25
    29   6     0.01   0.00   0.01     0.05   0.00   0.01    -0.02  -0.04  -0.04
    30   1     0.00  -0.02   0.05     0.04  -0.15   0.44     0.08  -0.19   0.59
    31   1    -0.03  -0.02  -0.01    -0.11  -0.12   0.02     0.06  -0.03   0.15
    32   1    -0.03  -0.02   0.02    -0.14  -0.03   0.06     0.04   0.11  -0.11
    33   1     0.00   0.03  -0.04     0.01   0.12  -0.08    -0.03  -0.03   0.16
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.3569              1349.7290              1363.6703
 Red. masses --      1.3466                 2.1911                 1.5746
 Frc consts  --      1.3811                 2.3518                 1.7252
 IR Inten    --      1.4435                 0.6775                 0.8558
 RamAct Fr= 1--     22.4465                 2.8652                12.5073
  Dep-P Fr= 1--      0.3025                 0.7468                 0.3177
  Dep-U Fr= 1--      0.4645                 0.8550                 0.4822
 Alpha2 Fr= 1--      0.2285                 0.0002                 0.1216
 Beta2  Fr= 1--      1.7378                 0.4083                 1.0051
 AlphaG Fr= 1--      0.0241                -0.0073                 0.1316
 Gamma2 Fr= 1--     -1.5003                 5.4913                -1.3827
 Delta2 Fr= 1--      0.4745                 1.8087                -1.0977
 Raman1 Fr= 1--      89.786                 11.461                 50.029
 ROA1   Fr= 1--    -128.841                585.047               -167.869
 CID1   Fr= 1--      -1.435                 51.047                 -3.355
 Raman2 Fr= 1--      20.854                  4.900                 12.061
 ROA2   Fr= 1--     -39.802                117.323                -24.405
 CID2   Fr= 1--      -1.909                 23.945                 -2.023
 Raman3 Fr= 1--      41.708                  9.799                 24.122
 ROA3   Fr= 1--    -128.841                585.047               -167.869
 CID3   Fr= 1--      -3.089                 59.702                 -6.959
 RC180  Fr= 1--      -0.071                  0.710                 -0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.08   0.00  -0.04    -0.09  -0.01   0.04
     2   6     0.06  -0.02  -0.01    -0.00   0.07   0.18    -0.01   0.00   0.00
     3   6    -0.00   0.00   0.01    -0.11  -0.06  -0.05     0.04   0.02   0.01
     4   6     0.01   0.01   0.01    -0.02   0.02   0.07     0.03  -0.03  -0.10
     5   6    -0.02  -0.01  -0.01     0.11   0.01  -0.07    -0.03  -0.01   0.01
     6   6     0.01   0.01   0.01    -0.06  -0.04  -0.04     0.07   0.04   0.04
     7   6    -0.12   0.02  -0.04     0.01  -0.03  -0.05     0.05  -0.02  -0.01
     8   6    -0.05   0.01  -0.04    -0.05   0.06  -0.03    -0.05   0.04  -0.01
     9   6     0.02   0.01  -0.01     0.01  -0.01   0.03     0.01  -0.01   0.01
    10   6    -0.00  -0.02   0.06     0.01  -0.02   0.02     0.01  -0.01   0.01
    11   6    -0.02  -0.02   0.00     0.03   0.03  -0.02    -0.06  -0.05   0.04
    12   6     0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.01  -0.01
    13   8    -0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.11  -0.02   0.06     0.17   0.02  -0.10     0.32   0.02  -0.19
    16   1    -0.12  -0.06  -0.05     0.31   0.18   0.17     0.18   0.09   0.08
    17   1     0.01  -0.01  -0.03    -0.34  -0.04   0.18    -0.21  -0.02   0.11
    18   1     0.01  -0.02   0.01    -0.18  -0.10  -0.11    -0.32  -0.16  -0.18
    19   1     0.32  -0.15   0.11     0.24   0.08   0.04    -0.16   0.13  -0.08
    20   1     0.47  -0.15   0.24    -0.18  -0.03   0.02    -0.05   0.00  -0.03
    21   1     0.55   0.21   0.19     0.32  -0.40   0.10     0.25  -0.24   0.10
    22   1    -0.04  -0.08  -0.03    -0.06   0.06   0.00    -0.06   0.04  -0.01
    23   1    -0.04  -0.03  -0.00     0.01  -0.08  -0.05    -0.01  -0.03   0.01
    24   1     0.01   0.01  -0.01    -0.01   0.01  -0.09    -0.01   0.03  -0.04
    25   1    -0.14  -0.01  -0.00    -0.05   0.05  -0.00    -0.04   0.04  -0.01
    26   1     0.06   0.06  -0.10    -0.02   0.02  -0.07    -0.01   0.01  -0.03
    27   1     0.16   0.04  -0.06     0.07   0.03  -0.01     0.02   0.02   0.02
    28   1     0.07   0.09  -0.06    -0.20  -0.15   0.11     0.43   0.30  -0.22
    29   6     0.01   0.01   0.01    -0.01  -0.01  -0.00     0.02   0.02   0.02
    30   1    -0.01   0.02  -0.07     0.00  -0.00   0.01    -0.00  -0.01   0.01
    31   1    -0.02  -0.00  -0.02     0.02   0.01   0.02    -0.05  -0.01  -0.08
    32   1    -0.02  -0.02   0.02     0.04   0.04  -0.03    -0.05  -0.02   0.05
    33   1     0.01   0.01  -0.03    -0.01  -0.01   0.01     0.02   0.03  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.5239              1374.9912              1392.5346
 Red. masses --      1.4761                 1.3041                 1.9982
 Frc consts  --      1.6384                 1.4527                 2.2830
 IR Inten    --      0.5385                 2.9997                47.5217
 RamAct Fr= 1--      5.9160                27.6859                 6.1577
  Dep-P Fr= 1--      0.2238                 0.5206                 0.7313
  Dep-U Fr= 1--      0.3658                 0.6847                 0.8448
 Alpha2 Fr= 1--      0.0754                 0.1237                 0.0020
 Beta2  Fr= 1--      0.3607                 3.1596                 0.8670
 AlphaG Fr= 1--      0.2536                 0.2953                 0.0252
 Gamma2 Fr= 1--      4.1031                 3.3634                 2.1635
 Delta2 Fr= 1--      0.6249                -2.8164                -2.0456
 Raman1 Fr= 1--      23.664                110.743                 24.631
 ROA1   Fr= 1--     413.893                232.760                142.240
 CID1   Fr= 1--      17.490                  2.102                  5.775
 Raman2 Fr= 1--       4.328                 37.916                 10.404
 ROA2   Fr= 1--      93.475                103.252                 68.289
 CID2   Fr= 1--      21.597                  2.723                  6.564
 Raman3 Fr= 1--       8.656                 75.832                 20.807
 ROA3   Fr= 1--     413.893                232.760                142.240
 CID3   Fr= 1--      47.815                  3.069                  6.836
 RC180  Fr= 1--      -0.268                  0.369                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.00   0.01     0.03   0.00  -0.01
     2   6    -0.02   0.01   0.00     0.01   0.02   0.05    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.01    -0.03  -0.01  -0.01    -0.01  -0.00   0.01
     4   6    -0.00   0.00   0.01     0.01  -0.01  -0.03    -0.01   0.02   0.01
     5   6     0.01   0.00   0.00     0.03   0.00  -0.02     0.02   0.00  -0.00
     6   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.03  -0.02  -0.01
     7   6     0.09   0.00   0.03    -0.06   0.03   0.00     0.00  -0.00   0.00
     8   6    -0.10  -0.12  -0.04     0.07  -0.09   0.00    -0.01   0.00  -0.00
     9   6     0.04   0.00  -0.03    -0.01   0.01  -0.03     0.00  -0.00   0.00
    10   6    -0.00   0.03   0.04    -0.02   0.02  -0.01    -0.00  -0.00   0.00
    11   6     0.01   0.01  -0.01    -0.02  -0.02   0.02     0.08  -0.15   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.11   0.15  -0.11
    13   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.03
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05   0.01
    15   1    -0.01   0.01   0.01     0.18   0.01  -0.09    -0.11  -0.01   0.07
    16   1     0.01   0.01   0.00     0.18   0.11   0.10    -0.03   0.00  -0.00
    17   1     0.03   0.01  -0.01    -0.25  -0.02   0.13     0.01   0.03  -0.01
    18   1     0.04   0.03   0.02    -0.19  -0.11  -0.09     0.08   0.05   0.05
    19   1    -0.22   0.09  -0.08     0.40  -0.22   0.16    -0.03   0.02  -0.01
    20   1    -0.40   0.13  -0.20    -0.11   0.02   0.02     0.01   0.00  -0.01
    21   1     0.44   0.53   0.18    -0.34   0.52  -0.15     0.03  -0.02   0.01
    22   1    -0.08   0.06  -0.07     0.07  -0.04   0.01    -0.00   0.01  -0.00
    23   1    -0.07   0.09   0.17     0.01   0.08   0.03    -0.00   0.00   0.00
    24   1    -0.04   0.19   0.11    -0.00   0.01   0.08    -0.00   0.01   0.00
    25   1    -0.02  -0.08   0.02     0.08  -0.09   0.03    -0.00   0.00   0.00
    26   1     0.13   0.06  -0.04     0.05  -0.01   0.04     0.00   0.00  -0.00
    27   1     0.09  -0.03  -0.10    -0.00  -0.03  -0.06     0.00   0.00   0.00
    28   1    -0.05  -0.05   0.03     0.15   0.12  -0.08    -0.36   0.65  -0.17
    29   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01   0.06   0.01
    30   1    -0.00   0.00  -0.01     0.00  -0.01   0.02     0.05  -0.15   0.42
    31   1     0.01   0.00   0.01    -0.02   0.00  -0.04    -0.07   0.01   0.00
    32   1     0.01   0.01  -0.01    -0.01   0.00   0.01     0.11  -0.18   0.08
    33   1    -0.00   0.00   0.01     0.00   0.01  -0.04     0.07  -0.16  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4907              1415.8038              1422.8298
 Red. masses --      1.2574                 1.2217                 1.2354
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.4388                11.4897                 6.3922
 RamAct Fr= 1--      0.1198                 1.4074                 2.1633
  Dep-P Fr= 1--      0.6472                 0.4886                 0.3874
  Dep-U Fr= 1--      0.7858                 0.6564                 0.5585
 Alpha2 Fr= 1--      0.0002                 0.0073                 0.0168
 Beta2  Fr= 1--      0.0157                 0.1540                 0.2014
 AlphaG Fr= 1--      0.0014                 0.0127                 0.0208
 Gamma2 Fr= 1--     -0.1404                -0.2217                 0.0821
 Delta2 Fr= 1--      0.0065                 0.1055                -0.1417
 Raman1 Fr= 1--       0.479                  5.630                  8.653
 ROA1   Fr= 1--     -13.272                -17.905                  3.347
 CID1   Fr= 1--     -27.685                 -3.181                  0.387
 Raman2 Fr= 1--       0.188                  1.848                  2.416
 ROA2   Fr= 1--      -3.421                 -6.164                  3.103
 CID2   Fr= 1--     -18.164                 -3.336                  1.284
 Raman3 Fr= 1--       0.377                  3.696                  4.832
 ROA3   Fr= 1--     -13.272                -17.905                  3.347
 CID3   Fr= 1--     -35.230                 -4.845                  0.693
 RC180  Fr= 1--       0.572                  0.313                  0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
     8   6     0.02   0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     9   6    -0.01  -0.09  -0.03    -0.00  -0.00  -0.00     0.00  -0.10  -0.04
    10   6    -0.10  -0.05  -0.01    -0.00  -0.00  -0.00     0.09   0.03  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00    -0.01   0.02  -0.02     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.04  -0.00   0.02    -0.00  -0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.03  -0.02  -0.01     0.00   0.00   0.00
    17   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.01  -0.00   0.00
    18   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00  -0.00   0.00
    19   1     0.01   0.02   0.00    -0.02   0.00  -0.01     0.07   0.02   0.02
    20   1     0.07  -0.02   0.02     0.02  -0.00  -0.00     0.10  -0.01   0.01
    21   1    -0.04  -0.09  -0.02     0.00  -0.01   0.00    -0.02  -0.02  -0.00
    22   1     0.08   0.38   0.00     0.00   0.00  -0.00     0.04   0.42  -0.02
    23   1     0.12   0.28   0.21    -0.00   0.00   0.00     0.09   0.30   0.27
    24   1    -0.16   0.31   0.13    -0.00   0.00   0.00    -0.17   0.34   0.16
    25   1     0.35   0.19   0.18    -0.00   0.00  -0.00    -0.33  -0.11  -0.18
    26   1     0.41  -0.02  -0.06     0.00  -0.00  -0.00    -0.38   0.00   0.06
    27   1     0.30   0.29  -0.06    -0.00   0.00   0.00    -0.28  -0.23   0.12
    28   1    -0.00  -0.01   0.00    -0.04   0.04  -0.01     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.01  -0.10   0.09     0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.01  -0.02   0.05    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.21   0.24  -0.50    -0.00  -0.00   0.00
    32   1    -0.00  -0.00   0.00     0.09   0.54  -0.18    -0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.14   0.35  -0.38     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1459.9011              1485.5744              1490.2132
 Red. masses --      2.4884                 1.0756                 1.0458
 Frc consts  --      3.1248                 1.3986                 1.3683
 IR Inten    --      8.3335                 0.4701                 2.2054
 RamAct Fr= 1--      0.7066                 2.1794                11.5696
  Dep-P Fr= 1--      0.4280                 0.5975                 0.7281
  Dep-U Fr= 1--      0.5994                 0.7481                 0.8427
 Alpha2 Fr= 1--      0.0047                 0.0062                 0.0043
 Beta2  Fr= 1--      0.0706                 0.2717                 1.6249
 AlphaG Fr= 1--     -0.0497                 0.0535                -0.0056
 Gamma2 Fr= 1--     -3.8464                 1.5753                 5.4447
 Delta2 Fr= 1--      1.8738                -0.3518                 0.7900
 Raman1 Fr= 1--       2.826                  8.717                 46.279
 ROA1   Fr= 1--    -309.289                139.975                547.970
 CID1   Fr= 1--    -109.426                 16.057                 11.841
 Raman2 Fr= 1--       0.847                  3.261                 19.499
 ROA2   Fr= 1--    -107.304                 40.622                124.353
 CID2   Fr= 1--    -126.673                 12.458                  6.377
 Raman3 Fr= 1--       1.694                  6.521                 38.998
 ROA3   Fr= 1--    -309.289                139.975                547.970
 CID3   Fr= 1--    -182.559                 21.464                 14.051
 RC180  Fr= 1--       0.199                  0.496                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.02   0.06   0.14     0.01  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.13   0.03  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01   0.06   0.14     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.14  -0.05  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.14   0.03  -0.04     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.04    -0.04  -0.04   0.02     0.01   0.02  -0.01
     8   6     0.00  -0.01  -0.00     0.01   0.01   0.00    -0.01  -0.00  -0.01
     9   6    -0.00  -0.00   0.00     0.03   0.00   0.01    -0.00  -0.01   0.03
    10   6     0.00   0.01   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.04
    11   6     0.04  -0.01  -0.04     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.01   0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.26  -0.03  -0.25    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.24  -0.19  -0.26    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.31  -0.02  -0.28    -0.00  -0.00  -0.00    -0.01   0.00   0.01
    18   1    -0.22  -0.17  -0.25    -0.02  -0.01  -0.01     0.01   0.00   0.01
    19   1     0.23  -0.07   0.05     0.14   0.43   0.08    -0.05  -0.17  -0.03
    20   1    -0.19  -0.02   0.06     0.22   0.10  -0.38    -0.08  -0.04   0.15
    21   1    -0.02   0.02  -0.01    -0.03  -0.00  -0.02     0.05   0.03   0.02
    22   1    -0.01  -0.01  -0.00    -0.33   0.08  -0.13    -0.12  -0.22  -0.02
    23   1     0.03   0.03  -0.00    -0.16   0.04   0.23     0.30   0.19  -0.09
    24   1    -0.01   0.03  -0.03     0.07  -0.13  -0.19    -0.10   0.22  -0.37
    25   1     0.03  -0.04   0.01     0.12  -0.38   0.03    -0.18  -0.23  -0.11
    26   1    -0.04   0.01  -0.00    -0.11  -0.10   0.27     0.13  -0.19   0.45
    27   1     0.01  -0.04  -0.05     0.19   0.07  -0.16     0.06   0.33   0.25
    28   1    -0.35  -0.05   0.08    -0.01  -0.00   0.00     0.01   0.00  -0.01
    29   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01  -0.01   0.04     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03   0.02  -0.00     0.00   0.00   0.00     0.04   0.03   0.04
    32   1     0.08   0.03  -0.02     0.01  -0.00  -0.00     0.03  -0.04   0.00
    33   1    -0.01   0.00  -0.07    -0.00   0.00  -0.00    -0.02   0.04  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.0794              1497.6632              1498.7268
 Red. masses --      1.0467                 1.0758                 1.0553
 Frc consts  --      1.3729                 1.4217                 1.3966
 IR Inten    --      4.2664                 2.4718                 9.2938
 RamAct Fr= 1--      4.7604                 5.2443                 4.9553
  Dep-P Fr= 1--      0.5715                 0.6591                 0.6127
  Dep-U Fr= 1--      0.7274                 0.7945                 0.7599
 Alpha2 Fr= 1--      0.0160                 0.0085                 0.0125
 Beta2  Fr= 1--      0.5771                 0.6944                 0.6276
 AlphaG Fr= 1--     -0.0055                 0.0362                 0.0881
 Gamma2 Fr= 1--     -2.9250                 2.7580                -0.4583
 Delta2 Fr= 1--     -2.7870                -0.1067                 1.3496
 Raman1 Fr= 1--      19.042                 20.977                 19.821
 ROA1   Fr= 1--    -369.984                261.352                 -0.813
 CID1   Fr= 1--     -19.430                 12.459                 -0.041
 Raman2 Fr= 1--       6.925                  8.333                  7.531
 ROA2   Fr= 1--     -47.904                 67.045                -21.796
 CID2   Fr= 1--      -6.918                  8.046                 -2.894
 Raman3 Fr= 1--      13.850                 16.667                 15.062
 ROA3   Fr= 1--    -369.984                261.352                 -0.813
 CID3   Fr= 1--     -26.713                 15.681                 -0.054
 RC180  Fr= 1--       0.455                  0.589                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.01    -0.00  -0.00  -0.01
     3   6     0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.01     0.01   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.03  -0.04   0.03     0.01   0.01  -0.00
     8   6     0.00   0.00   0.00    -0.02  -0.02  -0.01     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.03   0.01  -0.00     0.01  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
    11   6    -0.02  -0.01  -0.01    -0.00   0.00  -0.00    -0.02   0.03   0.01
    12   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01     0.01  -0.00  -0.01    -0.00   0.00   0.01
    16   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01   0.00
    17   1    -0.03  -0.00   0.02     0.00  -0.00  -0.01    -0.01  -0.00   0.01
    18   1    -0.02  -0.01  -0.01    -0.03  -0.01  -0.02     0.00   0.00   0.01
    19   1     0.00   0.01   0.00     0.14   0.44   0.08    -0.03  -0.08  -0.02
    20   1     0.01   0.00  -0.00     0.16   0.12  -0.42    -0.02  -0.02   0.07
    21   1    -0.01  -0.01  -0.00     0.03   0.07   0.01    -0.01  -0.01  -0.00
    22   1     0.00   0.02  -0.00     0.34  -0.13   0.13    -0.06   0.03  -0.02
    23   1    -0.03  -0.01   0.02     0.16  -0.06  -0.27    -0.03   0.01   0.05
    24   1     0.01  -0.02   0.03    -0.06   0.12   0.18     0.01  -0.03  -0.03
    25   1     0.02   0.02   0.01    -0.20   0.19  -0.08     0.02  -0.02   0.01
    26   1    -0.02   0.02  -0.05     0.20  -0.03   0.03    -0.02   0.00  -0.01
    27   1    -0.00  -0.04  -0.03    -0.11   0.14   0.27     0.01  -0.02  -0.03
    28   1     0.04   0.04  -0.05    -0.01  -0.01   0.01     0.05  -0.07   0.03
    29   6    -0.04  -0.02  -0.02    -0.01   0.00   0.00    -0.03   0.02   0.03
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    31   1     0.48   0.27   0.42    -0.02  -0.03   0.05    -0.22  -0.20   0.25
    32   1     0.34  -0.39   0.05     0.11   0.01  -0.03     0.58   0.11  -0.15
    33   1    -0.17   0.43  -0.11     0.01  -0.04  -0.10     0.11  -0.33  -0.55
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.1739              1511.0182              1551.5886
 Red. masses --      1.0528                 1.0511                 2.4409
 Frc consts  --      1.4035                 1.4139                 3.4623
 IR Inten    --      4.5950                12.1915                25.5528
 RamAct Fr= 1--      7.8403                 1.4791                 0.8116
  Dep-P Fr= 1--      0.7439                 0.4772                 0.7198
  Dep-U Fr= 1--      0.8531                 0.6461                 0.8371
 Alpha2 Fr= 1--      0.0008                 0.0081                 0.0004
 Beta2  Fr= 1--      1.1148                 0.1593                 0.1132
 AlphaG Fr= 1--      0.0062                -0.0086                 0.0090
 Gamma2 Fr= 1--     -0.8426                -1.8696                -0.2560
 Delta2 Fr= 1--      0.1839                -0.4006                -0.3396
 Raman1 Fr= 1--      31.361                  5.917                  3.247
 ROA1   Fr= 1--     -75.005               -192.300                -35.439
 CID1   Fr= 1--      -2.392                -32.502                -10.916
 Raman2 Fr= 1--      13.378                  1.911                  1.359
 ROA2   Fr= 1--     -21.693                -41.665                 -3.426
 CID2   Fr= 1--      -1.622                -21.799                 -2.522
 Raman3 Fr= 1--      26.755                  3.823                  2.718
 ROA3   Fr= 1--     -75.005               -192.300                -35.439
 CID3   Fr= 1--      -2.803                -50.305                -13.041
 RC180  Fr= 1--       0.706                  0.292                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.10   0.01   0.10
     2   6    -0.00   0.00   0.00    -0.01   0.00   0.00     0.15   0.04  -0.01
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.09  -0.07  -0.10
     4   6    -0.00   0.00   0.01    -0.00   0.00   0.00     0.15   0.05   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.10   0.01   0.09
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.08  -0.06  -0.09
     7   6    -0.00   0.01  -0.00     0.01   0.01  -0.00    -0.03  -0.01   0.00
     8   6     0.03  -0.02  -0.01    -0.01   0.02  -0.03    -0.00   0.00  -0.00
     9   6     0.03   0.01  -0.01    -0.01   0.01  -0.03     0.00   0.00  -0.00
    10   6     0.00  -0.03  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.01  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.43   0.06  -0.18
    16   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.00     0.43   0.21   0.17
    17   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.40   0.06  -0.17
    18   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.01     0.37   0.17   0.14
    19   1     0.04  -0.04   0.01    -0.02  -0.13  -0.02    -0.04  -0.03  -0.00
    20   1    -0.03   0.00   0.01    -0.07  -0.03   0.11    -0.04  -0.01   0.02
    21   1    -0.02   0.04  -0.03     0.06  -0.06  -0.01     0.01  -0.00   0.00
    22   1    -0.32   0.19  -0.13     0.30   0.24   0.09     0.00   0.01  -0.00
    23   1    -0.31  -0.02   0.31    -0.27  -0.26  -0.02    -0.01  -0.01   0.00
    24   1     0.13  -0.26  -0.05     0.07  -0.18   0.50     0.01  -0.01   0.01
    25   1    -0.29   0.34  -0.11    -0.06  -0.32  -0.05    -0.00  -0.01  -0.00
    26   1     0.32  -0.02  -0.01     0.01  -0.16   0.39    -0.00  -0.01   0.01
    27   1    -0.20   0.18   0.41     0.14   0.23   0.06     0.01   0.01  -0.00
    28   1    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.05   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.01   0.00  -0.01     0.00   0.00   0.00     0.05   0.03   0.03
    32   1    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.03   0.00
    33   1    -0.00   0.01   0.01    -0.00   0.00  -0.00    -0.02   0.05  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.3602              1658.3011              1805.6964
 Red. masses --      6.0484                 5.7958                 9.5418
 Frc consts  --      9.3334                 9.3905                18.3304
 IR Inten    --      0.2528                 1.5838               271.3876
 RamAct Fr= 1--      1.2931               187.7779                22.1298
  Dep-P Fr= 1--      0.7324                 0.4644                 0.2003
  Dep-U Fr= 1--      0.8455                 0.6343                 0.3338
 Alpha2 Fr= 1--      0.0004                 1.0850                 0.3003
 Beta2  Fr= 1--      0.1822                19.8501                 1.2311
 AlphaG Fr= 1--      0.0101                 0.4575                -0.5854
 Gamma2 Fr= 1--     -0.0056                 7.8667                -2.2818
 Delta2 Fr= 1--     -0.1354                 0.4481                 1.3196
 Raman1 Fr= 1--       5.173                751.112                 88.519
 ROA1   Fr= 1--      -4.877                769.544               -176.825
 CID1   Fr= 1--      -0.943                  1.025                 -1.998
 Raman2 Fr= 1--       2.187                238.201                 14.773
 ROA2   Fr= 1--       0.948                185.217                -65.320
 CID2   Fr= 1--       0.434                  0.778                 -4.422
 Raman3 Fr= 1--       4.373                476.403                 29.546
 ROA3   Fr= 1--      -4.877                769.544               -176.825
 CID3   Fr= 1--      -1.115                  1.615                 -5.985
 RC180  Fr= 1--       0.691                  0.269                 -0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.19     0.29   0.06  -0.08     0.01  -0.00  -0.01
     2   6     0.01  -0.13  -0.32    -0.20  -0.06  -0.00    -0.00   0.00   0.00
     3   6    -0.07  -0.10  -0.18    -0.27  -0.11  -0.06    -0.01  -0.00   0.00
     4   6    -0.04   0.12   0.33     0.18   0.05  -0.01     0.02   0.01  -0.01
     5   6     0.12  -0.05  -0.21    -0.27  -0.05   0.08    -0.01  -0.00   0.01
     6   6     0.08   0.11   0.20     0.26   0.11   0.07     0.01   0.00  -0.00
     7   6     0.01   0.02   0.04     0.03   0.01  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.01   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04    -0.02  -0.01   0.00     0.01  -0.04  -0.04
    12   6    -0.00   0.01   0.00    -0.00   0.00  -0.02    -0.25   0.26   0.61
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.14  -0.14  -0.40
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02  -0.06
    15   1     0.27   0.08  -0.01    -0.30   0.01   0.25    -0.01  -0.00   0.01
    16   1     0.27   0.09  -0.01     0.26   0.19   0.24    -0.03   0.01  -0.01
    17   1    -0.32  -0.09   0.03     0.27  -0.00  -0.22     0.02  -0.00  -0.01
    18   1    -0.31  -0.10  -0.01    -0.25  -0.16  -0.21    -0.00  -0.01  -0.01
    19   1    -0.23  -0.05  -0.05     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    20   1     0.16   0.00   0.02     0.03   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   1     0.01   0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    25   1     0.02  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.02   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.01  -0.01  -0.02    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    28   1    -0.27  -0.05   0.06    -0.02   0.01  -0.00     0.17  -0.16  -0.01
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.04  -0.14   0.45
    31   1     0.01   0.01  -0.00     0.02   0.01  -0.00     0.03   0.05  -0.10
    32   1    -0.01  -0.02   0.01     0.02   0.00  -0.00    -0.04   0.05   0.01
    33   1    -0.00   0.02   0.02    -0.01   0.02  -0.02    -0.03   0.03   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8332              3018.5224              3020.2666
 Red. masses --      1.0811                 1.0499                 1.0407
 Frc consts  --      5.7474                 5.6362                 5.5935
 IR Inten    --      3.1551                 8.3143                41.9392
 RamAct Fr= 1--    148.4594                15.4254                31.2711
  Dep-P Fr= 1--      0.1987                 0.6431                 0.3092
  Dep-U Fr= 1--      0.3315                 0.7828                 0.4723
 Alpha2 Fr= 1--      2.0233                 0.0297                 0.3120
 Beta2  Fr= 1--      8.2015                 2.0125                 2.4616
 AlphaG Fr= 1--      1.0983                 0.1397                -0.3205
 Gamma2 Fr= 1--     10.8223                -6.8113                 0.1895
 Delta2 Fr= 1--      6.5507                -1.5952                -3.6661
 Raman1 Fr= 1--     593.838                 61.702                125.084
 ROA1   Fr= 1--    1248.563               -704.933                -99.126
 CID1   Fr= 1--       2.103                -11.425                 -0.792
 Raman2 Fr= 1--      98.418                 24.150                 29.539
 ROA2   Fr= 1--     207.330               -150.711                 33.877
 CID2   Fr= 1--       2.107                 -6.241                  1.147
 Raman3 Fr= 1--     196.836                 48.300                 59.079
 ROA3   Fr= 1--    1248.563               -704.933                -99.126
 CID3   Fr= 1--       6.343                -14.595                 -1.678
 RC180  Fr= 1--      -0.337                  0.566                 -0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.00   0.02    -0.02  -0.04   0.02    -0.01  -0.02   0.01
     8   6     0.03   0.00  -0.07    -0.00  -0.00   0.01     0.00   0.00   0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.01  -0.03  -0.03
    10   6    -0.00   0.00   0.01     0.03   0.01  -0.01    -0.03  -0.01   0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    19   1     0.08   0.00  -0.23     0.17  -0.00  -0.50     0.09  -0.00  -0.27
    20   1    -0.00   0.02   0.01     0.05   0.51   0.21     0.02   0.25   0.11
    21   1    -0.34  -0.02   0.88     0.04   0.00  -0.09     0.00  -0.00  -0.01
    22   1     0.06  -0.00  -0.17    -0.02   0.00   0.06    -0.19   0.00   0.52
    23   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01    -0.21   0.21  -0.21
    24   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.27   0.10  -0.01
    25   1     0.05   0.01  -0.12    -0.17  -0.02   0.41     0.15   0.01  -0.36
    26   1     0.00  -0.04  -0.01     0.00  -0.31  -0.13    -0.00   0.27   0.11
    27   1    -0.02   0.02  -0.02    -0.17   0.18  -0.17     0.17  -0.17   0.16
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.8157              3047.1468              3056.3522
 Red. masses --      1.0439                 1.0355                 1.1034
 Frc consts  --      5.6348                 5.6649                 6.0726
 IR Inten    --     49.2014                23.6922                15.5965
 RamAct Fr= 1--    449.1284               243.0300                32.5346
  Dep-P Fr= 1--      0.0112                 0.0717                 0.7081
  Dep-U Fr= 1--      0.0222                 0.1337                 0.8291
 Alpha2 Fr= 1--      9.7220                 4.5581                 0.0236
 Beta2  Fr= 1--      1.6628                 5.4168                 4.4959
 AlphaG Fr= 1--     -1.5927                -0.4682                -0.2193
 Gamma2 Fr= 1--     -1.5348                -0.4239                -0.2074
 Delta2 Fr= 1--     -0.1399                 4.1150                 1.8562
 Raman1 Fr= 1--    1796.514                972.120                130.138
 ROA1   Fr= 1--    -151.815                 90.985                 39.491
 CID1   Fr= 1--      -0.085                  0.094                  0.303
 Raman2 Fr= 1--      19.953                 65.001                 53.951
 ROA2   Fr= 1--     -35.715                -43.094                -19.826
 CID2   Fr= 1--      -1.790                 -0.663                 -0.367
 Raman3 Fr= 1--      39.907                130.003                107.901
 ROA3   Fr= 1--    -151.815                 90.985                 39.491
 CID3   Fr= 1--      -3.804                  0.700                  0.366
 RC180  Fr= 1--      -0.956                 -0.733                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.01   0.03  -0.01     0.00   0.00  -0.00     0.01  -0.05  -0.07
     8   6     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     9   6     0.01  -0.03  -0.02    -0.00  -0.00  -0.00    -0.00  -0.01   0.01
    10   6     0.02   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.09   0.00   0.26    -0.00   0.00   0.00    -0.23  -0.02   0.66
    20   1    -0.03  -0.34  -0.14    -0.00  -0.00  -0.00     0.06   0.62   0.24
    21   1    -0.07  -0.00   0.18    -0.00  -0.00   0.00    -0.05  -0.00   0.13
    22   1    -0.17   0.00   0.47    -0.00   0.00   0.00     0.01   0.00  -0.04
    23   1    -0.21   0.20  -0.20     0.00  -0.00   0.00    -0.05   0.05  -0.04
    24   1     0.27   0.11  -0.01     0.00   0.00  -0.00     0.04   0.02   0.00
    25   1    -0.13  -0.01   0.31    -0.00  -0.00   0.00     0.04   0.01  -0.09
    26   1     0.00  -0.28  -0.12     0.00  -0.00  -0.00     0.00  -0.11  -0.04
    27   1    -0.17   0.17  -0.16    -0.00   0.00  -0.00    -0.03   0.03  -0.02
    28   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.02  -0.04   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.35   0.44   0.12    -0.00   0.00   0.00
    32   1     0.00   0.00   0.00    -0.10  -0.17  -0.42    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.64   0.20   0.02     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0378              3077.6981              3084.2832
 Red. masses --      1.0840                 1.0993                 1.0992
 Frc consts  --      6.0238                 6.1353                 6.1610
 IR Inten    --      6.9053                10.4291                56.4491
 RamAct Fr= 1--     68.9184                24.9479               127.1103
  Dep-P Fr= 1--      0.2094                 0.7432                 0.4478
  Dep-U Fr= 1--      0.3462                 0.8527                 0.6185
 Alpha2 Fr= 1--      0.9129                 0.0029                 0.7863
 Beta2  Fr= 1--      3.9771                 3.5454                13.1040
 AlphaG Fr= 1--     -0.4006                -0.0257                -1.3663
 Gamma2 Fr= 1--     -3.6928               -11.1234                 6.0179
 Delta2 Fr= 1--     -2.3753                 4.1432               -18.1314
 Raman1 Fr= 1--     275.673                 99.792                508.441
 ROA1   Fr= 1--    -430.520               -935.261                 -2.489
 CID1   Fr= 1--      -1.562                 -9.372                 -0.005
 Raman2 Fr= 1--      47.726                 42.545                157.248
 ROA2   Fr= 1--     -69.625               -300.106                289.480
 CID2   Fr= 1--      -1.459                 -7.054                  1.841
 Raman3 Fr= 1--      95.451                 85.091                314.496
 ROA3   Fr= 1--    -430.520               -935.261                 -2.489
 CID3   Fr= 1--      -4.510                -10.991                 -0.008
 RC180  Fr= 1--      -0.308                  0.705                  0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.02
     9   6    -0.00  -0.00   0.00    -0.00  -0.03   0.05    -0.00   0.03  -0.06
    10   6     0.00   0.00   0.00    -0.00  -0.01  -0.07     0.01  -0.03  -0.05
    11   6    -0.02  -0.03  -0.07    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    16   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.04  -0.01   0.11
    20   1    -0.00  -0.00  -0.00     0.00   0.03   0.01     0.01   0.09   0.03
    21   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.07  -0.00   0.19
    22   1    -0.00  -0.00   0.00     0.14  -0.01  -0.36    -0.16   0.02   0.41
    23   1    -0.00   0.00  -0.00    -0.29   0.29  -0.27     0.32  -0.31   0.29
    24   1     0.00   0.00  -0.00     0.16   0.06   0.01    -0.15  -0.06  -0.01
    25   1     0.00   0.00  -0.00    -0.21  -0.02   0.50    -0.17  -0.03   0.40
    26   1     0.00  -0.00  -0.00     0.00   0.35   0.13     0.00   0.44   0.18
    27   1    -0.00   0.00  -0.00     0.22  -0.22   0.19     0.06  -0.06   0.04
    28   1     0.23   0.34   0.89     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.01   0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.03  -0.06  -0.15    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.04  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0213              3103.5091              3110.7840
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1961                 6.2436                 6.2849
 IR Inten    --     41.9023                34.0411                27.5370
 RamAct Fr= 1--    137.6263                58.2080               126.0625
  Dep-P Fr= 1--      0.6549                 0.7065                 0.6576
  Dep-U Fr= 1--      0.7915                 0.8280                 0.7935
 Alpha2 Fr= 1--      0.2344                 0.0440                 0.2082
 Beta2  Fr= 1--     18.1543                 8.0326                16.6708
 AlphaG Fr= 1--     -0.0613                -0.1879                 0.1039
 Gamma2 Fr= 1--      6.8098               -11.5083                -2.1889
 Delta2 Fr= 1--     12.7783                -1.6399                -4.2454
 Raman1 Fr= 1--     550.505                232.832                504.250
 ROA1   Fr= 1--    1062.643              -1157.273               -345.985
 CID1   Fr= 1--       1.930                 -4.970                 -0.686
 Raman2 Fr= 1--     217.852                 96.391                200.050
 ROA2   Fr= 1--      61.208               -263.080                -18.570
 CID2   Fr= 1--       0.281                 -2.729                 -0.093
 Raman3 Fr= 1--     435.704                192.781                400.099
 ROA3   Fr= 1--    1062.643              -1157.273               -345.985
 CID3   Fr= 1--       2.439                 -6.003                 -0.865
 RC180  Fr= 1--       0.583                  0.656                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.01   0.02    -0.09  -0.01  -0.01     0.00   0.00   0.00
    10   6     0.03  -0.08   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.02   0.00  -0.05     0.01  -0.00  -0.03    -0.00   0.00   0.00
    22   1     0.04  -0.00  -0.12     0.04  -0.00  -0.17    -0.00   0.00   0.00
    23   1    -0.08   0.08  -0.08     0.24  -0.26   0.25    -0.00   0.00  -0.00
    24   1     0.08   0.03   0.00     0.81   0.34  -0.00    -0.01  -0.00   0.00
    25   1     0.05  -0.01  -0.10     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.53   0.23    -0.00  -0.02  -0.01     0.00  -0.00  -0.00
    27   1    -0.46   0.44  -0.44     0.02  -0.02   0.02    -0.00   0.00  -0.00
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.05
    29   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.09   0.02  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.40  -0.53  -0.14
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.07   0.18
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.67   0.23   0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.5770              3160.0843              3160.7705
 Red. masses --      1.1014                 1.0875                 1.0868
 Frc consts  --      6.3556                 6.3984                 6.3973
 IR Inten    --     12.7840                19.3846                 3.1612
 RamAct Fr= 1--     29.2218                14.2783               109.2397
  Dep-P Fr= 1--      0.6652                 0.1593                 0.6958
  Dep-U Fr= 1--      0.7989                 0.2748                 0.8206
 Alpha2 Fr= 1--      0.0441                 0.2156                 0.1034
 Beta2  Fr= 1--      3.8910                 0.6539                14.9413
 AlphaG Fr= 1--     -0.0032                 0.2076                 0.1387
 Gamma2 Fr= 1--      0.2340                 1.3614                -4.8189
 Delta2 Fr= 1--      2.0496                 1.2427                 1.0932
 Raman1 Fr= 1--     116.887                 57.113                436.959
 ROA1   Fr= 1--      88.046                170.458               -427.628
 CID1   Fr= 1--       0.753                  2.985                 -0.979
 Raman2 Fr= 1--      46.692                  7.847                179.295
 ROA2   Fr= 1--     -10.782                 22.731               -124.398
 CID2   Fr= 1--      -0.231                  2.897                 -0.694
 Raman3 Fr= 1--      93.385                 15.694                358.590
 ROA3   Fr= 1--      88.046                170.458               -427.628
 CID3   Fr= 1--       0.943                 10.861                 -1.193
 RC180  Fr= 1--       0.598                 -0.450                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.05    -0.02  -0.02  -0.03
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.01   0.00   0.01
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.02  -0.03     0.02   0.02   0.04
     6   6     0.00  -0.00  -0.00    -0.02   0.01   0.03     0.03  -0.01  -0.04
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.01   0.01     0.31   0.36   0.61     0.20   0.24   0.40
    16   1     0.02  -0.01  -0.03     0.17  -0.06  -0.26     0.10  -0.04  -0.16
    17   1    -0.01  -0.01  -0.01     0.16   0.18   0.33    -0.23  -0.25  -0.45
    18   1    -0.00   0.00   0.00     0.20  -0.06  -0.30    -0.33   0.10   0.50
    19   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.01  -0.00   0.01
    20   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.01   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
    23   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1     0.04   0.05   0.14     0.00   0.00   0.01    -0.01  -0.01  -0.02
    29   6    -0.01  -0.06  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.28   0.34   0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    32   1     0.18   0.29   0.78    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    33   1     0.18   0.05  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.2789              3183.8238              3723.2643
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5051                 6.5285                 8.6899
 IR Inten    --     17.6225                 2.4970                65.6834
 RamAct Fr= 1--    113.1385               127.4472               184.0531
  Dep-P Fr= 1--      0.1573                 0.1459                 0.2584
  Dep-U Fr= 1--      0.2718                 0.2546                 0.4107
 Alpha2 Fr= 1--      1.7170                 1.9909                 2.1303
 Beta2  Fr= 1--      5.1250                 5.4079                12.5982
 AlphaG Fr= 1--     -1.0920                 0.0883                -0.1897
 Gamma2 Fr= 1--     -7.0420                 5.4400                -5.9498
 Delta2 Fr= 1--     -2.9735                 1.1067                 0.3069
 Raman1 Fr= 1--     452.554                509.789                736.213
 ROA1   Fr= 1--    -771.180                557.651               -561.358
 CID1   Fr= 1--      -1.704                  1.094                 -0.762
 Raman2 Fr= 1--      61.499                 64.895                151.179
 ROA2   Fr= 1--    -145.219                121.705               -145.250
 CID2   Fr= 1--      -2.361                  1.875                 -0.961
 Raman3 Fr= 1--     122.999                129.790                302.357
 ROA3   Fr= 1--    -771.180                557.651               -561.358
 CID3   Fr= 1--      -6.270                  4.297                 -1.857
 RC180  Fr= 1--      -0.456                 -0.491                 -0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.03     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.01  -0.00  -0.01     0.04  -0.01  -0.07    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03  -0.03  -0.05     0.00   0.00   0.01     0.00   0.00  -0.00
     6   6     0.03  -0.01  -0.05    -0.01   0.00   0.01     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.02
    15   1     0.01   0.01   0.01     0.15   0.17   0.29    -0.00  -0.00  -0.00
    16   1    -0.09   0.03   0.13    -0.49   0.17   0.75     0.00   0.00   0.00
    17   1     0.29   0.31   0.56    -0.04  -0.04  -0.08     0.00   0.00   0.00
    18   1    -0.37   0.12   0.57     0.06  -0.02  -0.10    -0.00   0.00   0.00
    19   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.01   0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.54   0.80   0.24
    31   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    32   1     0.00   0.00   0.01     0.01   0.01   0.03     0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1165.557297383.385407460.60428
           X            0.99997   0.00786   0.00163
           Y           -0.00785   0.99995  -0.00648
           Z           -0.00168   0.00646   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07431     0.01173     0.01161
 Rotational constants (GHZ):           1.54839     0.24443     0.24190
 Zero-point vibrational energy     745942.0 (Joules/Mol)
                                  178.28441 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     34.95    55.20    66.41    72.39   101.38
          (Kelvin)            136.84   256.49   291.02   319.25   329.62
                              346.11   363.50   414.20   464.98   501.54
                              554.47   591.41   602.26   611.02   688.10
                              735.65   849.64   888.63   923.42   957.43
                             1028.92  1097.43  1148.58  1190.53  1206.52
                             1228.03  1230.53  1259.33  1291.31  1347.62
                             1372.41  1384.47  1398.70  1405.71  1459.29
                             1505.11  1560.07  1578.46  1592.10  1638.54
                             1651.78  1671.33  1717.68  1743.52  1759.28
                             1779.33  1795.04  1841.78  1883.80  1898.26
                             1941.96  1962.02  1974.76  1978.31  2003.55
                             2019.31  2037.03  2047.13  2100.47  2137.41
                             2144.08  2146.77  2154.80  2156.33  2164.17
                             2174.02  2232.39  2328.46  2385.93  2597.99
                             4321.85  4342.98  4345.49  4354.91  4384.16
                             4397.41  4418.54  4428.12  4437.60  4445.85
                             4465.26  4475.72  4502.76  4546.66  4547.64
                             4571.40  4580.81  5356.95
 
 Zero-point correction=                           0.284114 (Hartree/Particle)
 Thermal correction to Energy=                    0.299817
 Thermal correction to Enthalpy=                  0.300761
 Thermal correction to Gibbs Free Energy=         0.239359
 Sum of electronic and zero-point Energies=           -656.740262
 Sum of electronic and thermal Energies=              -656.724559
 Sum of electronic and thermal Enthalpies=            -656.723615
 Sum of electronic and thermal Free Energies=         -656.785017
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.138             58.751            129.232
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.529
 Vibrational            186.361             52.790             54.829
 Vibration     1          0.593              1.985              6.248
 Vibration     2          0.594              1.982              5.342
 Vibration     3          0.595              1.979              4.976
 Vibration     4          0.595              1.977              4.805
 Vibration     5          0.598              1.968              4.140
 Vibration     6          0.603              1.953              3.552
 Vibration     7          0.629              1.869              2.346
 Vibration     8          0.639              1.837              2.112
 Vibration     9          0.648              1.808              1.944
 Vibration    10          0.652              1.797              1.886
 Vibration    11          0.658              1.778              1.799
 Vibration    12          0.664              1.758              1.712
 Vibration    13          0.685              1.696              1.486
 Vibration    14          0.708              1.629              1.294
 Vibration    15          0.726              1.578              1.173
 Vibration    16          0.754              1.501              1.018
 Vibration    17          0.775              1.446              0.923
 Vibration    18          0.781              1.430              0.897
 Vibration    19          0.787              1.417              0.876
 Vibration    20          0.835              1.298              0.715
 Vibration    21          0.866              1.225              0.630
 Vibration    22          0.948              1.052              0.466
 Vibration    23          0.977              0.995              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.799330-110       -110.097274       -253.508342
 Total V=0       0.385578D+21         20.586113         47.401276
 Vib (Bot)       0.239569-124       -124.620569       -286.949464
 Vib (Bot)    1  0.852638D+01          0.930765          2.143165
 Vib (Bot)    2  0.539327D+01          0.731852          1.685152
 Vib (Bot)    3  0.448023D+01          0.651300          1.499674
 Vib (Bot)    4  0.410873D+01          0.613708          1.413115
 Vib (Bot)    5  0.292685D+01          0.466401          1.073928
 Vib (Bot)    6  0.215982D+01          0.334417          0.770024
 Vib (Bot)    7  0.112732D+01          0.052046          0.119840
 Vib (Bot)    8  0.984916D+00         -0.006601         -0.015199
 Vib (Bot)    9  0.890734D+00         -0.050252         -0.115710
 Vib (Bot)   10  0.860054D+00         -0.065474         -0.150760
 Vib (Bot)   11  0.814911D+00         -0.088890         -0.204677
 Vib (Bot)   12  0.771537D+00         -0.112643         -0.259371
 Vib (Bot)   13  0.665041D+00         -0.177152         -0.407907
 Vib (Bot)   14  0.580555D+00         -0.236157         -0.543771
 Vib (Bot)   15  0.529755D+00         -0.275925         -0.635341
 Vib (Bot)   16  0.467390D+00         -0.330320         -0.760591
 Vib (Bot)   17  0.430072D+00         -0.366459         -0.843803
 Vib (Bot)   18  0.419926D+00         -0.376827         -0.867677
 Vib (Bot)   19  0.411980D+00         -0.385124         -0.886781
 Vib (Bot)   20  0.350229D+00         -0.455648         -1.049169
 Vib (Bot)   21  0.318201D+00         -0.497299         -1.145073
 Vib (Bot)   22  0.255318D+00         -0.592918         -1.365244
 Vib (Bot)   23  0.237370D+00         -0.624574         -1.438136
 Vib (V=0)       0.115563D+07          6.062818         13.960154
 Vib (V=0)    1  0.904103D+01          0.956218          2.201773
 Vib (V=0)    2  0.591640D+01          0.772058          1.777728
 Vib (V=0)    3  0.500804D+01          0.699668          1.611045
 Vib (V=0)    4  0.463905D+01          0.666429          1.534509
 Vib (V=0)    5  0.346926D+01          0.540236          1.243940
 Vib (V=0)    6  0.271694D+01          0.434080          0.999505
 Vib (V=0)    7  0.173322D+01          0.238855          0.549983
 Vib (V=0)    8  0.160456D+01          0.205357          0.472851
 Vib (V=0)    9  0.152147D+01          0.182264          0.419679
 Vib (V=0)   10  0.149483D+01          0.174593          0.402015
 Vib (V=0)   11  0.145607D+01          0.163184          0.375744
 Vib (V=0)   12  0.141939D+01          0.152100          0.350224
 Vib (V=0)   13  0.133203D+01          0.124515          0.286707
 Vib (V=0)   14  0.126619D+01          0.102498          0.236011
 Vib (V=0)   15  0.122845D+01          0.089358          0.205754
 Vib (V=0)   16  0.118444D+01          0.073512          0.169267
 Vib (V=0)   17  0.115952D+01          0.064277          0.148003
 Vib (V=0)   18  0.115295D+01          0.061809          0.142320
 Vib (V=0)   19  0.114786D+01          0.059890          0.137903
 Vib (V=0)   20  0.111046D+01          0.045502          0.104773
 Vib (V=0)   21  0.109266D+01          0.038487          0.088620
 Vib (V=0)   22  0.106142D+01          0.025885          0.059603
 Vib (V=0)   23  0.105348D+01          0.022628          0.052103
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.286832D+07          6.457627         14.869236
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           866555444444444333333322222111110000999998888887776665544443332222221      
     2        87663109877542210                           051510999986210977651084321964309841776539755329616419172118428542207975432
     3        47100140481677094                           688214982060363353409908732428977464722478554978355281185915938319228500684
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXX XXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X              XXX    XX                             X              X            XX X X                  XX                     
     X                X    X                              X              X            X  X X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003321    0.000001557   -0.000001837
      2        6          -0.000002768   -0.000002496   -0.000003269
      3        6          -0.000001158   -0.000002431    0.000000219
      4        6           0.000011513    0.000005212    0.000000872
      5        6          -0.000008156    0.000002405   -0.000000196
      6        6           0.000003995    0.000003986   -0.000000756
      7        6           0.000001382    0.000012073   -0.000005762
      8        6           0.000001388    0.000001951    0.000000595
      9        6           0.000001265   -0.000005127   -0.000000404
     10        6           0.000005557   -0.000000273    0.000000035
     11        6          -0.000013397   -0.000014004    0.000006066
     12        6           0.000003451    0.000002078    0.000005816
     13        8           0.000000120   -0.000001064   -0.000001362
     14        8          -0.000001811    0.000003700   -0.000005881
     15        1           0.000000443   -0.000000785    0.000001092
     16        1           0.000001767   -0.000000461    0.000000654
     17        1           0.000001582   -0.000001735    0.000000304
     18        1          -0.000001630   -0.000001367    0.000000024
     19        1          -0.000001435   -0.000003148    0.000003747
     20        1          -0.000003296   -0.000003116    0.000001059
     21        1           0.000001435   -0.000002146   -0.000003834
     22        1          -0.000000642    0.000002588    0.000000597
     23        1           0.000000172   -0.000000913    0.000000236
     24        1          -0.000000024   -0.000000065    0.000000979
     25        1          -0.000002550   -0.000000838    0.000000184
     26        1           0.000000322   -0.000000240   -0.000000068
     27        1           0.000001257    0.000000900    0.000001073
     28        1           0.000002953    0.000000409    0.000001112
     29        6          -0.000002643    0.000006267   -0.000006788
     30        1           0.000001747   -0.000002503    0.000001501
     31        1           0.000000826    0.000000266    0.000001842
     32        1          -0.000000020   -0.000000715    0.000001787
     33        1           0.000001678    0.000000035    0.000000360
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000014004 RMS     0.000003633
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228798D+03  0.931989D+01 -0.433528D+01
      2   0.931989D+01  0.141133D+03  0.697285D+01
      3  -0.433528D+01  0.697285D+01  0.153558D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.711067D+01 -0.137152D+01 -0.614149D+01
      2  -0.436243D+02 -0.167976D+02 -0.380930D+02
      3   0.296872D+02  0.563635D+02  0.910141D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.272148D+03 -0.772109D+02 -0.520989D+02
      2   0.147827D+03  0.701355D+02  0.165653D+01
      3   0.124321D+03  0.707542D+01  0.504423D+02
      4  -0.109889D+02 -0.102309D+03 -0.297407D+02
      5  -0.471215D+02 -0.278317D+02 -0.801876D+02
      6  -0.758552D+01 -0.228016D+02  0.196844D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112949D+02  0.245420D+01 -0.929718D+00 -0.313886D+00 -0.604796D-01
      2   0.245420D+01 -0.202754D+00  0.345310D+00 -0.604796D-01 -0.382205D+01
      3  -0.929718D+00  0.345310D+00 -0.219828D+01  0.162903D+01 -0.157584D+01
                 6             7             8             9            10 
      1   0.162903D+01 -0.136143D+02 -0.110757D+01  0.411918D+00 -0.336508D+02
      2  -0.157584D+01 -0.110757D+01 -0.192028D+00  0.127250D+01 -0.355656D+01
      3   0.928130D+00  0.411918D+00  0.127250D+01 -0.173492D+01 -0.293724D+00
                11            12            13            14            15 
      1  -0.355656D+01 -0.293724D+00 -0.802163D+01 -0.521296D+01  0.126908D+01
      2  -0.198422D+01 -0.755166D+00 -0.521296D+01 -0.298850D+01  0.397112D+00
      3  -0.755166D+00 -0.290233D+01  0.126908D+01  0.397112D+00 -0.870102D+00
                16            17            18            19            20 
      1  -0.157814D+01  0.149571D+01 -0.141556D+01 -0.981940D+01 -0.281485D+01
      2   0.149571D+01  0.687437D+00 -0.136987D-01 -0.281485D+01  0.222019D+01
      3  -0.141556D+01 -0.136987D-01  0.159316D+01  0.446174D+00  0.152516D+01
                21            22            23            24            25 
      1   0.446174D+00 -0.965056D+01 -0.241013D+00  0.809691D+00 -0.128887D+02
      2   0.152516D+01 -0.241013D+00 -0.154943D+01 -0.167698D+01 -0.290396D+01
      3   0.170425D+01  0.809691D+00 -0.167698D+01  0.205802D+01  0.312925D+00
                26            27            28            29            30 
      1  -0.290396D+01  0.312925D+00  0.310382D+02  0.480169D+01 -0.175270D+01
      2  -0.135369D+01  0.129028D+01  0.480169D+01  0.267280D+01  0.798034D-01
      3   0.129028D+01 -0.242005D+01 -0.175270D+01  0.798034D-01  0.263650D+01
                31            32            33            34            35 
      1   0.557628D+01  0.594959D+01 -0.162391D+01 -0.124022D+01 -0.113212D+01
      2   0.594959D+01  0.226747D+01 -0.695979D+00 -0.113212D+01 -0.183773D+01
      3  -0.162391D+01 -0.695979D+00  0.168635D+01  0.122624D+01  0.315008D+00
                36            37            38            39            40 
      1   0.122624D+01 -0.137982D+02 -0.317786D+01  0.127774D+01 -0.123974D+01
      2   0.315008D+00 -0.317786D+01  0.835556D-02 -0.385321D+00  0.854504D+00
      3   0.762931D+00  0.127774D+01 -0.385321D+00  0.389783D+01 -0.174644D+01
                41            42            43            44            45 
      1   0.854504D+00 -0.174644D+01  0.156352D+02  0.924622D+00 -0.173378D+01
      2   0.411340D+01  0.194753D+01  0.924622D+00  0.910826D+00 -0.147436D+01
      3   0.194753D+01 -0.915108D+00 -0.173378D+01 -0.147436D+01  0.139187D+01
                46            47            48            49            50 
      1   0.120726D+02  0.281981D+01 -0.718933D+00  0.119772D+02 -0.523491D+00
      2   0.281981D+01 -0.199639D+01 -0.155279D+01 -0.523491D+00  0.117108D+01
      3  -0.718933D+00 -0.155279D+01 -0.264564D+01 -0.342578D+00  0.209984D+01
                51            52            53            54            55 
      1  -0.342578D+00  0.123401D+02  0.260875D+01  0.123338D+01  0.201450D+02
      2   0.209984D+01  0.260875D+01  0.146057D+01 -0.135063D+01 -0.217780D+00
      3  -0.329608D+01  0.123338D+01 -0.135063D+01  0.169611D+01  0.118373D+01
                56            57            58            59            60 
      1  -0.217780D+00  0.118373D+01 -0.509518D+01  0.472508D+01 -0.135450D+01
      2   0.167715D+01 -0.653892D+00  0.472508D+01  0.615426D+01  0.176010D+01
      3  -0.653892D+00  0.211842D+01 -0.135450D+01  0.176010D+01 -0.375870D-01
                61            62            63            64            65 
      1   0.947257D+01 -0.793430D+00  0.421851D+01 -0.448620D+01  0.461745D+01
      2  -0.793430D+00  0.309614D+01  0.110452D+01  0.461745D+01 -0.924613D+00
      3   0.421851D+01  0.110452D+01 -0.469822D+01  0.268134D+00  0.140730D+01
                66            67            68            69            70 
      1   0.268134D+00  0.146022D+02 -0.187207D+01  0.251767D+01 -0.744794D+01
      2   0.140730D+01 -0.187207D+01 -0.503893D+01 -0.203564D+01  0.125223D+01
      3  -0.347579D+01  0.251767D+01 -0.203564D+01  0.432391D+00 -0.549834D+01
                71            72            73            74            75 
      1   0.125223D+01 -0.549834D+01 -0.329761D+01 -0.513333D+01  0.675872D+00
      2  -0.304030D+01  0.812184D-01 -0.513333D+01  0.966499D+00 -0.145280D+01
      3   0.812184D-01  0.638880D+01  0.675872D+00 -0.145280D+01  0.300779D+01
                76            77            78            79            80 
      1  -0.623899D+01  0.130438D+01 -0.182576D+01  0.205045D+01 -0.172940D+01
      2   0.130438D+01  0.216615D+01  0.265545D+01 -0.172940D+01  0.385057D+01
      3  -0.182576D+01  0.265545D+01 -0.967534D+00  0.422419D+01 -0.187395D+01
                81            82            83            84            85 
      1   0.422419D+01 -0.299292D+01 -0.432946D+01 -0.386440D-01 -0.751140D+01
      2  -0.187395D+01 -0.432946D+01  0.533431D+00 -0.180222D+01  0.244571D+01
      3  -0.449998D+01 -0.386440D-01 -0.180222D+01  0.351097D+01 -0.233652D+01
                86            87            88            89            90 
      1   0.244571D+01 -0.233652D+01  0.164916D+01 -0.189252D+01  0.557371D+01
      2   0.530184D+01  0.358377D+01 -0.189252D+01  0.355544D+01  0.366265D+00
      3   0.358377D+01 -0.319429D+00  0.557371D+01  0.366265D+00 -0.328462D+01
                91            92            93            94            95 
      1  -0.676982D+01  0.455646D+00 -0.573096D+00  0.477115D+01 -0.685693D+01
      2   0.455646D+00 -0.294491D+01  0.698330D+00 -0.685693D+01 -0.472082D+00
      3  -0.573096D+00  0.698330D+00 -0.135802D+01  0.134592D+01  0.129374D+01
                96            97            98            99           100 
      1   0.134592D+01  0.292443D+01  0.208041D+01 -0.233600D+01 -0.242808D+01
      2   0.129374D+01  0.208041D+01  0.350682D+01 -0.363904D+01 -0.392414D+00
      3  -0.283504D+01 -0.233600D+01 -0.363904D+01 -0.301952D+01  0.218706D+01
               101           102           103           104           105 
      1  -0.392414D+00  0.218706D+01 -0.333985D+00  0.289510D+01 -0.653631D+00
      2   0.204298D+01 -0.123876D+00  0.289510D+01 -0.318645D+01 -0.182445D+00
      3  -0.123876D+00 -0.104531D+01 -0.653631D+00 -0.182445D+00  0.193306D+01
               106           107           108           109           110 
      1   0.583855D+01 -0.236532D+01 -0.277601D+01  0.533919D+01 -0.121210D+01
      2  -0.236532D+01  0.105360D+01  0.276786D+01 -0.121210D+01  0.346517D+00
      3  -0.277601D+01  0.276786D+01  0.317443D+01 -0.394111D+01  0.321359D+00
               111           112           113           114           115 
      1  -0.394111D+01 -0.372409D+01  0.141689D+01  0.100966D+01 -0.117290D+02
      2   0.321359D+00  0.141689D+01 -0.132781D+01 -0.211560D+01  0.208515D+01
      3   0.226039D+01  0.100966D+01 -0.211560D+01 -0.188047D+01  0.463238D+01
               116           117           118           119           120 
      1   0.208515D+01  0.463238D+01 -0.486646D+00  0.201448D+01  0.125797D+01
      2  -0.325523D+01 -0.169435D+01  0.201448D+01 -0.354467D+01  0.365164D+00
      3  -0.169435D+01 -0.860410D+01  0.125797D+01  0.365164D+00  0.113103D+00
               121           122           123           124           125 
      1   0.187285D+01 -0.381984D+01  0.533281D+00  0.598010D+01 -0.105765D+01
      2  -0.381984D+01  0.426950D+01  0.854809D+00 -0.105765D+01  0.187958D+01
      3   0.533281D+00  0.854809D+00 -0.144383D+00  0.199078D+01 -0.212444D+01
               126           127           128           129           130 
      1   0.199078D+01 -0.204177D+01 -0.118292D+01 -0.164134D+01 -0.163137D+01
      2  -0.212444D+01 -0.118292D+01 -0.990133D+00 -0.111682D+01 -0.961708D+00
      3   0.455278D+01 -0.164134D+01 -0.111682D+01 -0.143000D+01 -0.164824D+01
               131           132           133           134           135 
      1  -0.961708D+00 -0.164824D+01 -0.189226D+01 -0.124297D+01 -0.214664D+01
      2  -0.145806D+01 -0.168902D+01 -0.124297D+01 -0.228092D+01 -0.288249D+01
      3  -0.168902D+01 -0.279548D+01 -0.214664D+01 -0.288249D+01 -0.541939D+01
               136           137           138           139           140 
      1   0.349481D+01 -0.241228D+00 -0.208600D+01 -0.598328D+00  0.257157D+00
      2  -0.241228D+00  0.420673D+00  0.254571D+00  0.257157D+00 -0.479254D+00
      3  -0.208600D+01  0.254571D+00  0.204655D+01  0.608972D+00 -0.509856D+00
               141           142           143           144           145 
      1   0.608972D+00 -0.260579D+01  0.768437D+00  0.284630D+01  0.203579D+01
      2  -0.509856D+00  0.768437D+00 -0.943602D+00 -0.119939D+01  0.131813D+01
      3  -0.158982D+01  0.284630D+01 -0.119939D+01 -0.511761D+01  0.185916D+01
               146           147           148           149           150 
      1   0.131813D+01  0.185916D+01  0.119537D+01  0.822361D+00  0.155875D+01
      2   0.971411D+00  0.117540D+01  0.822361D+00  0.104125D+01  0.156217D+01
      3   0.117540D+01  0.186194D+01  0.155875D+01  0.156217D+01  0.303024D+01
               151           152           153           154           155 
      1   0.177529D+01  0.122124D+01  0.236808D+01 -0.316817D+01  0.298384D+00
      2   0.122124D+01  0.210727D+01  0.284915D+01  0.298384D+00 -0.220614D+00
      3   0.236808D+01  0.284915D+01  0.643856D+01  0.266447D+01 -0.243419D+00
               156           157           158           159           160 
      1   0.266447D+01  0.405548D+00 -0.230775D+00 -0.479656D+00  0.298508D+01
      2  -0.243419D+00 -0.230775D+00  0.271849D+00  0.470039D+00 -0.709423D+00
      3  -0.304551D+01 -0.479656D+00  0.470039D+00  0.167190D+01 -0.346418D+01
               161           162           163           164           165 
      1  -0.709423D+00 -0.346418D+01 -0.243274D+01 -0.114739D+00  0.164395D+01
      2   0.854907D+00  0.117951D+01 -0.114739D+00 -0.687472D+00  0.628673D+00
      3   0.117951D+01  0.669145D+01  0.164395D+01  0.628673D+00 -0.176886D+01
               166           167           168           169           170 
      1   0.200506D+01 -0.671562D+00  0.229771D+00  0.382454D+01  0.842288D+00
      2  -0.671562D+00 -0.921406D+00  0.728064D+00  0.842288D+00  0.119577D+01
      3   0.229771D+00  0.728064D+00 -0.798862D-01 -0.231421D+01 -0.155661D+01
               171           172           173           174           175 
      1  -0.231421D+01 -0.215921D+01 -0.133635D+01 -0.623407D+00 -0.379801D+01
      2  -0.155661D+01 -0.133635D+01 -0.101660D+01  0.383396D-01 -0.307881D+01
      3   0.581768D+01 -0.623407D+00  0.383396D-01 -0.222088D+00 -0.336845D+00
               176           177           178           179           180 
      1  -0.307881D+01 -0.336845D+00 -0.526942D+01 -0.104681D+01 -0.118187D+01
      2  -0.875574D+01 -0.101145D+01 -0.104681D+01 -0.253428D+01 -0.132199D+01
      3  -0.101145D+01 -0.818159D+00 -0.118187D+01 -0.132199D+01 -0.421531D+00
               181           182           183           184           185 
      1   0.220936D+01 -0.793992D+00 -0.124678D+01 -0.175289D+01  0.185852D+00
      2  -0.793992D+00  0.473786D+00 -0.270426D+00  0.185852D+00  0.579491D+00
      3  -0.124678D+01 -0.270426D+00  0.151145D+01 -0.207995D+00 -0.636128D+00
               186           187           188           189           190 
      1  -0.207995D+00 -0.218830D+01 -0.220861D+00  0.112603D+01 -0.138194D+01
      2  -0.636128D+00 -0.220861D+00 -0.103304D+01  0.315486D-01  0.986823D+00
      3   0.136983D+00  0.112603D+01  0.315486D-01 -0.700695D+01  0.140563D+01
               191           192           193           194           195 
      1   0.986823D+00  0.140563D+01  0.440963D+00 -0.518283D+00  0.327395D-01
      2  -0.910043D+00 -0.307320D+00 -0.518283D+00  0.437736D+00  0.598403D+00
      3  -0.307320D+00 -0.194022D+01  0.327395D-01  0.598403D+00  0.240887D+00
               196           197           198           199           200 
      1   0.239415D+01 -0.676459D+00 -0.234623D+01 -0.416912D+01  0.335662D+01
      2  -0.676459D+00  0.170195D+01  0.158260D+01  0.335662D+01 -0.309416D+01
      3  -0.234623D+01  0.158260D+01  0.616462D+01 -0.152940D+01  0.109924D+01
               201           202           203           204           205 
      1  -0.152940D+01  0.285502D+01 -0.316970D+01  0.125192D+01 -0.297485D+01
      2   0.109924D+01 -0.316970D+01  0.442760D+01 -0.187241D+01  0.209293D+01
      3  -0.143646D+01  0.125192D+01 -0.187241D+01  0.130987D+01 -0.207967D+01
               206           207           208           209           210 
      1   0.209293D+01 -0.207967D+01  0.811558D+01  0.176613D+01  0.222291D+00
      2  -0.318802D+01  0.193933D+01  0.176613D+01  0.278549D+01  0.153162D+00
      3   0.193933D+01 -0.169389D+01  0.222291D+00  0.153162D+00  0.438523D+00
               211           212           213           214           215 
      1   0.166027D+01  0.154166D+01  0.141314D+00  0.394283D+00 -0.838251D-02
      2   0.154166D+01  0.206606D+01 -0.162996D+00 -0.838251D-02 -0.377903D+00
      3   0.141314D+00 -0.162996D+00  0.580235D+00  0.723067D-01  0.710694D+00
               216           217           218           219           220 
      1   0.723067D-01 -0.306240D+01 -0.113086D+00  0.176250D+01  0.455095D+00
      2   0.710694D+00 -0.113086D+00 -0.559178D+00  0.373473D+00 -0.101151D+01
      3   0.375680D+00  0.176250D+01  0.373473D+00 -0.196277D+01  0.289133D+00
               221           222           223           224           225 
      1  -0.101151D+01  0.289133D+00  0.475127D+01  0.984985D+00 -0.339932D+01
      2  -0.804516D+00  0.420541D+00  0.984985D+00  0.111209D+01 -0.668113D+00
      3   0.420541D+00 -0.170946D+00 -0.339932D+01 -0.668113D+00  0.530398D+01
               226           227           228           229           230 
      1  -0.158004D+00 -0.738771D+00 -0.361048D+00 -0.257661D+01 -0.269678D+01
      2  -0.738771D+00 -0.356996D+00 -0.305764D-01 -0.269678D+01 -0.792803D+01
      3  -0.361048D+00 -0.305764D-01 -0.392968D+00 -0.777438D+00 -0.256482D+01
               231           232           233           234           235 
      1  -0.777438D+00 -0.123287D+01 -0.662752D+00 -0.137125D+01 -0.661661D+01
      2  -0.256482D+01 -0.662752D+00 -0.268497D+01 -0.174522D+01  0.196030D+01
      3  -0.181633D+01 -0.137125D+01 -0.174522D+01 -0.137507D+01 -0.265650D+01
               236           237           238           239           240 
      1   0.196030D+01 -0.265650D+01  0.569805D+01 -0.216515D+01  0.201494D+01
      2  -0.125389D+01  0.948940D+00 -0.216515D+01  0.159367D+01 -0.147645D+01
      3   0.948940D+00 -0.203873D+01  0.201494D+01 -0.147645D+01  0.163132D+01
               241           242           243           244           245 
      1  -0.482514D+01  0.113629D+01 -0.346158D+01 -0.215144D+00  0.313074D+00
      2   0.113629D+01 -0.158662D+01  0.967724D+00  0.313074D+00  0.716419D+00
      3  -0.346158D+01  0.967724D+00 -0.252767D+01  0.169822D+01  0.355096D+00
               246           247           248           249           250 
      1   0.169822D+01  0.468337D+00  0.132614D+01  0.500602D+00  0.292601D+01
      2   0.355096D+00  0.132614D+01  0.175677D+01  0.120115D+01  0.748580D+00
      3   0.105361D+01  0.500602D+00  0.120115D+01  0.178202D+01  0.172056D+01
               251           252           253           254           255 
      1   0.748580D+00  0.172056D+01 -0.890813D+01 -0.624753D+01  0.111112D+01
      2   0.171974D+01  0.175714D+01 -0.624753D+01  0.179302D+01  0.408095D+00
      3   0.175714D+01  0.516737D+01  0.111112D+01  0.408095D+00  0.955930D+00
               256           257           258           259           260 
      1  -0.175135D+01  0.369150D+01 -0.785631D+00 -0.370966D+01 -0.137246D+01
      2   0.369150D+01 -0.353079D+00 -0.215168D+01 -0.137246D+01 -0.387376D+01
      3  -0.785631D+00 -0.215168D+01  0.309770D+01  0.241693D+01  0.291317D+01
               261           262           263           264           265 
      1   0.241693D+01  0.428567D+01 -0.349253D+01  0.117916D+01 -0.446515D+01
      2   0.291317D+01 -0.349253D+01  0.352854D+01 -0.816279D+00  0.506878D+01
      3   0.254278D+01  0.117916D+01 -0.816279D+00  0.100366D+01 -0.114997D+01
               266           267           268           269           270 
      1   0.506878D+01 -0.114997D+01 -0.103977D+01  0.102247D+01  0.506579D+00
      2  -0.696367D+01  0.141942D+01  0.102247D+01 -0.112534D+01 -0.525180D+00
      3   0.141942D+01 -0.149643D+01  0.506579D+00 -0.525180D+00  0.500518D+00
               271           272           273           274           275 
      1  -0.138967D+01  0.210817D+01  0.855649D-01  0.193266D+01 -0.153678D+01
      2   0.210817D+01 -0.360243D+01  0.300431D+00 -0.153678D+01  0.660307D+01
      3   0.855649D-01  0.300431D+00 -0.769162D+00 -0.612363D-01 -0.352099D-01
               276           277           278           279           280 
      1  -0.612363D-01  0.854859D+00 -0.382714D-01 -0.431336D+00  0.382540D+00
      2  -0.352099D-01 -0.382714D-01  0.162095D+01  0.479681D+00  0.212430D+00
      3   0.652286D+00 -0.431336D+00  0.479681D+00 -0.209708D-01 -0.771973D+00
               281           282           283           284           285 
      1   0.212430D+00 -0.771973D+00 -0.739745D+00 -0.515538D+00  0.902155D-01
      2  -0.493793D+00  0.102489D+00 -0.515538D+00 -0.748653D+00 -0.243412D+00
      3   0.102489D+00 -0.791839D+00  0.902155D-01 -0.243412D+00 -0.131260D+01
               286           287           288           289           290 
      1  -0.168125D+01 -0.370563D+00  0.296556D-01  0.130190D+02  0.561216D+01
      2  -0.370563D+00 -0.144131D+01  0.582400D-01  0.561216D+01  0.362559D+01
      3   0.296556D-01  0.582400D-01 -0.620784D+01 -0.176438D+01 -0.106942D+01
               291           292           293           294           295 
      1  -0.176438D+01  0.352693D+01  0.265868D+01 -0.502329D+00  0.121525D+00
      2  -0.106942D+01  0.265868D+01  0.257648D+01 -0.356249D+00  0.668200D-01
      3   0.130306D+01 -0.502329D+00 -0.356249D+00  0.173985D+00  0.104549D+01
               296           297 
      1   0.668200D-01  0.104549D+01
      2   0.435092D+00  0.403018D+00
      3   0.403018D+00 -0.510383D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.262821D+01  0.913437D+00 -0.287786D+01  0.593632D+01  0.103407D+01
      2  -0.171500D+02  0.185364D+01  0.840276D+01  0.421475D+01 -0.679396D+00
      3  -0.206331D+01 -0.363281D+01 -0.405862D+01  0.136027D+02 -0.247344D+00
                 6             7             8             9            10 
      1  -0.282616D+01 -0.562062D+01  0.255669D+01  0.566684D+00 -0.602542D+01
      2  -0.790289D+00  0.581578D+01 -0.115377D+01 -0.480903D+01  0.204765D+02
      3  -0.345053D+01 -0.278367D+01  0.966940D+00  0.494057D+01  0.115296D+01
                11            12            13            14            15 
      1   0.511222D+00  0.171020D+01  0.947936D+00 -0.525078D+01 -0.779031D+01
      2   0.183011D+01 -0.340103D+01 -0.409226D+00  0.171856D+01 -0.193606D+01
      3   0.159044D+01  0.872195D+00  0.134261D+02 -0.383345D+00 -0.113705D+01
                16            17            18            19            20 
      1   0.956444D+01 -0.138654D+00  0.440858D+01 -0.129258D+01 -0.110255D+01
      2  -0.250839D+02 -0.210066D+01  0.318524D+01  0.120821D+02  0.324897D+01
      3   0.706909D+01 -0.178949D+01 -0.388665D+01 -0.623054D+01 -0.138049D+01
                21            22            23            24            25 
      1   0.102003D+01 -0.761978D+01 -0.385978D+01 -0.207775D+01  0.948048D+00
      2   0.516277D+01  0.973553D+01  0.425591D+01  0.173995D+01  0.445942D+01
      3  -0.454866D+00  0.104923D+02  0.306190D+01  0.238872D+01 -0.708591D+01
                26            27            28            29            30 
      1   0.264115D+01 -0.200033D+01  0.282144D+01  0.296003D+01  0.413881D+01
      2   0.212944D+01  0.169117D+01 -0.174008D+02 -0.458228D+01 -0.122606D+01
      3  -0.355078D+00 -0.215374D+01 -0.212561D+01 -0.603231D+00  0.178473D+01
                31            32            33            34            35 
      1   0.723332D+01 -0.170652D+01 -0.829775D+01  0.686690D+01 -0.204356D+00
      2  -0.844106D+01 -0.564163D+01 -0.216970D+01 -0.269398D+02 -0.279639D+01
      3   0.117523D+02  0.512153D+01 -0.232907D+00  0.354198D+01  0.340037D+01
                36            37            38            39            40 
      1   0.384535D+01 -0.378898D+01  0.221331D+00 -0.117651D+01  0.427216D+01
      2   0.286677D+01  0.593629D+01  0.517573D+01  0.455039D+01  0.491112D+01
      3  -0.299099D+01 -0.151043D+01 -0.247264D+01 -0.338264D+01  0.936062D+01
                41            42            43            44            45 
      1   0.429298D+01 -0.818466D+00 -0.516056D+00  0.282992D+01  0.520611D-01
      2   0.656510D+00  0.400878D-01 -0.133628D+02 -0.307104D+01 -0.198696D+00
      3  -0.960391D+00 -0.387045D+01  0.288444D+01 -0.207743D+01  0.342212D+01
                46            47            48            49            50 
      1   0.498999D+01 -0.266268D+01 -0.846696D+00 -0.707050D+01 -0.968446D+00
      2  -0.777304D+01 -0.225058D+01  0.437280D+01 -0.495854D+01  0.589127D+00
      3  -0.438657D+01 -0.144700D+01 -0.286035D+00  0.967360D+01  0.228077D+01
                51            52            53            54            55 
      1  -0.206125D+01  0.479523D+01  0.388662D+01 -0.661025D+00  0.542715D+01
      2   0.265058D+01 -0.108714D+02 -0.130812D+01 -0.248610D+00 -0.102173D+02
      3   0.354637D+01 -0.703400D+01  0.101331D+01 -0.178376D+01 -0.123698D+02
                56            57            58            59            60 
      1  -0.150044D+01  0.119769D+01 -0.385137D+01  0.697845D+01 -0.133369D+01
      2   0.161995D+01 -0.322122D+01  0.471874D+01 -0.105651D+02 -0.207176D+00
      3   0.354028D+01 -0.282307D+01  0.278365D+02  0.162049D+02  0.775479D+01
                61            62            63            64            65 
      1   0.524632D+01  0.389164D+01 -0.593734D+01 -0.549052D+01  0.485661D+00
      2  -0.280315D+02 -0.357166D+01  0.175201D+02  0.468885D+01 -0.433363D+01
      3  -0.987623D+01  0.102894D+02 -0.207445D+01  0.268343D+02 -0.796866D+01
                66            67            68            69            70 
      1  -0.298330D+00  0.840093D+00  0.121944D+01 -0.162683D+01 -0.464436D+01
      2   0.181097D+02 -0.121097D+02  0.104292D+02  0.592102D+00  0.222383D+02
      3   0.643080D+01 -0.949529D+01 -0.195715D+02 -0.926282D+01  0.125550D+02
                71            72            73            74            75 
      1   0.504750D+01 -0.485272D+00 -0.138449D+00  0.322662D+01 -0.606320D+01
      2  -0.582152D+00 -0.321860D+02 -0.158744D+01  0.768861D+01 -0.104088D+02
      3  -0.118478D+02  0.273309D+01 -0.309205D+02 -0.918683D+01 -0.566175D+01
                76            77            78            79            80 
      1   0.404483D+01 -0.752417D+01  0.652110D+00 -0.834681D+01  0.661506D+01
      2   0.976882D+01 -0.106236D+02  0.439390D+01 -0.195423D+02  0.788643D+01
      3  -0.273875D+01  0.963128D+01  0.765190D+01 -0.674117D+01  0.115451D+02
                81            82            83            84            85 
      1   0.848264D+01  0.239739D+01 -0.128013D+01  0.361286D+01 -0.270318D+01
      2   0.182974D+02 -0.243327D+01  0.771228D+01 -0.186123D+02  0.101738D+02
      3  -0.218536D+01 -0.220182D+02  0.484563D+01 -0.101416D+02  0.238617D+02
                86            87            88            89            90 
      1  -0.194447D+00 -0.336729D+01  0.560682D+01  0.663897D-01 -0.194497D+01
      2  -0.202044D+02 -0.111179D+01 -0.360194D+02 -0.393266D+01  0.209999D+02
      3   0.301131D+02  0.228179D+02 -0.109683D+02  0.213741D+02 -0.216138D+01
                91            92            93            94            95 
      1  -0.225596D+01 -0.730998D+00  0.246330D+01  0.136372D+01 -0.703811D+00
      2   0.152213D+01  0.238140D+01  0.233639D+00  0.264419D+01  0.633053D+01
      3  -0.147974D+02  0.424034D+01 -0.186870D+01  0.367359D+02 -0.318838D+01
                96            97            98            99           100 
      1  -0.627575D+00  0.570120D+01  0.820542D+01  0.246433D+01  0.275850D+01
      2  -0.105412D+02 -0.168266D+02 -0.127245D+02 -0.108951D+02  0.145866D+01
      3  -0.449572D+01 -0.241698D+01 -0.843373D+01  0.957276D+01  0.278268D+02
               101           102           103           104           105 
      1   0.328135D+01 -0.671163D+01 -0.132220D+01  0.105333D+01 -0.346221D+01
      2  -0.833718D+00 -0.356294D+00 -0.755684D+00 -0.208994D+01  0.167339D+02
      3  -0.125410D+02  0.231224D+01 -0.215860D+01 -0.237444D+01 -0.850285D+00
               106           107           108           109           110 
      1  -0.391386D+01 -0.610329D+01  0.178157D+01 -0.223737D+01 -0.337853D+01
      2  -0.971294D+01  0.108270D+02  0.171369D+02 -0.106108D+02  0.952829D+00
      3   0.117148D+02 -0.816560D+01 -0.973236D+01 -0.292384D+01 -0.416792D+01
               111           112           113           114           115 
      1   0.329383D+01 -0.971822D+00  0.109836D+01 -0.329396D+01  0.388528D+00
      2   0.112101D+02 -0.373506D+00 -0.794694D+01 -0.108071D+02  0.792426D+01
      3  -0.599864D+00 -0.639122D+01  0.923447D+01  0.890847D+01 -0.124885D+02
               116           117           118           119           120 
      1   0.838905D+01 -0.614867D+01  0.292351D+01 -0.104126D+01  0.675476D+00
      2  -0.536738D+01 -0.364705D+02  0.547091D+01 -0.188608D+00  0.250801D+01
      3   0.148065D+02  0.783823D+01 -0.100892D+02  0.996790D+01 -0.297459D+01
               121           122           123           124           125 
      1  -0.149412D+01  0.261618D+01 -0.193791D+01 -0.313049D+01  0.732155D+01
      2   0.318263D+01  0.619095D+01 -0.256212D+01  0.923857D+00 -0.577173D+01
      3   0.121065D+02 -0.120328D+02 -0.355750D+01  0.388376D+01 -0.780604D+01
               126           127           128           129           130 
      1   0.491048D+01 -0.490039D+00  0.126635D+01 -0.408332D+00 -0.875182D+00
      2   0.185494D+02 -0.416197D+01 -0.644951D+00 -0.391961D+00 -0.194399D+01
      3   0.687433D+01  0.240186D+01 -0.214182D+00  0.631010D+00  0.324994D+01
               131           132           133           134           135 
      1   0.337135D+00 -0.331718D+01 -0.969179D+00  0.224747D+01 -0.251178D+01
      2   0.184028D+00  0.550144D+00 -0.319173D+01  0.420597D+00  0.213527D+01
      3  -0.101371D+01  0.114943D+00  0.189808D+01 -0.170016D+01 -0.338520D+00
               136           137           138           139           140 
      1  -0.130132D+01 -0.178737D+01  0.178831D+01 -0.328547D+00  0.123415D+00
      2   0.658836D+01 -0.253862D+00 -0.892395D+00  0.940319D+00  0.223844D+00
      3  -0.298684D+01 -0.933858D+00  0.129624D+01  0.523874D+00  0.673630D+00
               141           142           143           144           145 
      1  -0.165084D+01  0.776670D+00  0.300590D+01 -0.108977D+01  0.147260D+01
      2  -0.896951D+00 -0.482681D+01  0.215607D+00 -0.126306D+01 -0.468219D+01
      3  -0.259298D+00  0.173162D+01  0.166286D+01 -0.103871D+01  0.731833D+00
               146           147           148           149           150 
      1   0.241271D+01  0.618068D+00  0.273564D+00  0.129435D+01 -0.154411D+01
      2  -0.152591D+01 -0.979435D+00 -0.283013D+01 -0.687314D+00 -0.450082D+00
      3  -0.786990D+00  0.289441D-01  0.187095D+01 -0.630866D+00 -0.222352D+00
               151           152           153           154           155 
      1   0.691805D+00  0.437806D+01  0.361529D+00  0.138348D+00 -0.199154D+01
      2  -0.391776D+01 -0.514300D+00  0.670432D+00  0.619112D+01 -0.475550D+00
      3   0.603611D+00 -0.225234D+01 -0.964225D+00 -0.115294D+01 -0.131147D+01
               156           157           158           159           160 
      1   0.629339D+00  0.286301D+00  0.539834D+00 -0.109418D+01 -0.136122D+01
      2  -0.898499D+00  0.323012D+00  0.210920D-01 -0.100957D+01 -0.519373D+01
      3   0.520330D+00  0.170664D+01  0.427107D+00  0.172314D+00 -0.514678D-01
               161           162           163           164           165 
      1   0.386559D+01  0.133482D+01  0.175563D+01 -0.330104D+00 -0.196799D+01
      2   0.383553D+00 -0.966713D+00 -0.469721D+01 -0.208635D+01  0.689086D+01
      3   0.187195D+01 -0.517652D+00  0.270011D+01 -0.324364D+01  0.106824D+00
               166           167           168           169           170 
      1   0.844823D+00  0.196765D+00 -0.100968D+01 -0.208210D+01  0.154096D+01
      2  -0.209813D+01 -0.141201D+01 -0.169332D+00  0.150397D+01  0.424269D+01
      3  -0.124452D+01 -0.209067D+01  0.148664D+01 -0.153188D+01  0.367154D+01
               171           172           173           174           175 
      1   0.718989D+01 -0.118210D+01 -0.274203D+00 -0.948926D+00 -0.150991D+01
      2  -0.182337D+02  0.418760D+01  0.697780D+00  0.254587D+01  0.305804D+01
      3  -0.123989D+01 -0.160579D+01 -0.307875D+01  0.421250D+00 -0.272634D+01
               176           177           178           179           180 
      1  -0.490073D+01 -0.419861D+01 -0.202765D+01 -0.189481D+01 -0.139269D+01
      2   0.658859D+01  0.342433D+01  0.456280D+01  0.483449D+01  0.108652D+01
      3  -0.242038D+02 -0.222110D+01  0.161243D+01 -0.756531D+01 -0.239027D+01
               181           182           183           184           185 
      1   0.190977D+01 -0.125918D+01  0.889773D-01 -0.351618D+00 -0.628818D+00
      2   0.104409D+02  0.293469D+00 -0.705168D+01 -0.511007D+00  0.295105D+01
      3  -0.343556D+01  0.123456D+01 -0.685523D+00  0.324726D+01  0.235345D+01
               186           187           188           189           190 
      1  -0.781801D+00 -0.317898D+00  0.318880D+01  0.414857D+00 -0.283761D+01
      2  -0.371228D+00 -0.112516D+02 -0.107492D+00  0.297286D+02 -0.513801D+01
      3  -0.238041D+01 -0.782601D+00 -0.334470D+01  0.182699D+00  0.260795D+01
               191           192           193           194           195 
      1  -0.281913D+00  0.398441D+01  0.936506D-01 -0.104603D+01 -0.173695D+01
      2   0.122833D+01  0.829917D+01 -0.268737D+00 -0.198850D+01 -0.502842D+00
      3  -0.340319D+01  0.594345D+00  0.220055D-01  0.745571D+00  0.192407D+01
               196           197           198           199           200 
      1   0.435110D+01  0.480275D+00 -0.123045D+02  0.284229D+01 -0.161057D+01
      2   0.519127D+01 -0.593938D+01 -0.249062D+02  0.624426D+01 -0.482701D+01
      3   0.162449D+01  0.716949D+01  0.325800D+01  0.662327D+01 -0.970741D+01
               201           202           203           204           205 
      1   0.437473D+01 -0.326732D+01  0.295749D+01 -0.438222D+01  0.414387D+01
      2   0.773567D+01 -0.494233D+01  0.794880D+01 -0.673649D+01  0.743101D+01
      3   0.204340D+01 -0.459867D+01  0.141175D+02 -0.512357D+01  0.309585D+01
               206           207           208           209           210 
      1  -0.178528D+01  0.389932D+01 -0.200518D+01 -0.261960D+00 -0.215644D+01
      2  -0.804530D+01  0.742735D+01 -0.279048D+01 -0.940858D+00 -0.638776D+00
      3  -0.108577D+02  0.481564D+01  0.275049D+02  0.126901D+02  0.145391D+01
               211           212           213           214           215 
      1  -0.828770D+00  0.446132D+00 -0.192407D+01 -0.182482D+01  0.193931D+00
      2  -0.112556D+01  0.390960D+00 -0.923944D+00 -0.360716D+01 -0.218701D+01
      3   0.124070D+02  0.955903D+01 -0.268452D+00  0.168881D+01 -0.132366D+01
               216           217           218           219           220 
      1  -0.113902D+01  0.142214D+01 -0.125201D+00 -0.191681D+01  0.666743D+00
      2  -0.156233D+01 -0.113066D+02 -0.223771D+01  0.134242D+02 -0.164508D+01
      3   0.309780D+01  0.145115D+01 -0.427465D+01  0.747203D+00 -0.410360D+01
               221           222           223           224           225 
      1   0.489326D+00 -0.118473D+01 -0.237111D+01  0.171846D+01  0.416850D+01
      2  -0.252739D+01  0.131393D+01  0.176383D+02  0.385277D+01 -0.326258D+02
      3  -0.360784D+01  0.173256D+01  0.179167D+01  0.659664D+01 -0.894843D+00
               226           227           228           229           230 
      1   0.419320D+00  0.274656D+00 -0.368812D+00  0.822616D+00  0.363269D+01
      2   0.229847D+01 -0.295310D+00  0.243772D+01  0.186543D+01  0.132487D+02
      3  -0.443885D+01 -0.249853D+01 -0.449915D-01 -0.881392D+01 -0.417643D+02
               231           232           233           234           235 
      1  -0.261676D+01 -0.555068D+00  0.155850D+01 -0.653013D+00 -0.294375D+01
      2   0.103958D+02  0.512663D+01  0.917427D+01  0.653797D+01  0.101559D+02
      3  -0.134787D+02 -0.203141D+01 -0.147108D+02 -0.820988D+01  0.144157D+02
               236           237           238           239           240 
      1   0.226984D+01 -0.134366D+01  0.231046D+01 -0.275358D+01  0.701847D+00
      2  -0.412922D+01  0.125818D+02 -0.760982D+01  0.726267D+01 -0.905749D+01
      3  -0.109673D+02  0.706737D+01 -0.134229D+02  0.112357D+02 -0.947437D+01
               241           242           243           244           245 
      1  -0.237553D+01  0.330872D+01 -0.144898D+01 -0.188932D+01 -0.948683D-01
      2   0.149772D+02 -0.479067D+01  0.127989D+02  0.602575D+01  0.147849D+01
      3   0.875447D+01 -0.109789D+02  0.748977D+01 -0.114711D+01 -0.282448D+01
               246           247           248           249           250 
      1  -0.123702D+01 -0.677078D+00 -0.124027D+00 -0.255094D+01 -0.121423D+01
      2   0.346797D+01  0.146033D+01  0.317282D+01  0.585113D+01  0.444176D+00
      3   0.146909D+00 -0.206382D+01 -0.410780D+01 -0.298882D+01  0.468012D-01
               251           252           253           254           255 
      1   0.134773D+01 -0.520377D+01  0.343269D+01 -0.352653D+01 -0.449219D+01
      2   0.519467D+01  0.161545D+02 -0.573201D+01 -0.505188D+01  0.743577D+01
      3  -0.436313D+01 -0.421513D+01  0.251771D+01 -0.208069D+02  0.373150D+00
               256           257           258           259           260 
      1  -0.481488D+00  0.756497D+01 -0.698364D+01 -0.456238D+01 -0.136009D+01
      2  -0.751488D+01 -0.629946D+01  0.108018D+02  0.845241D+01  0.112741D+02
      3  -0.174652D+02  0.696116D+01  0.711234D+01  0.172014D+01  0.112959D+02
               261           262           263           264           265 
      1  -0.112653D+02 -0.224690D+01  0.266754D+01  0.130559D+01  0.383976D+01
      2   0.113077D+02  0.112741D+01 -0.573107D+00  0.391542D+01 -0.779978D+00
      3  -0.687843D+01  0.908584D+01 -0.117958D+02  0.313391D+01 -0.147794D+02
               266           267           268           269           270 
      1  -0.521914D+01 -0.166589D+01  0.259419D+00 -0.175343D+00 -0.107453D+01
      2   0.157475D+01 -0.594274D+01  0.138266D+01 -0.193255D+01  0.773913D+00
      3   0.254904D+02 -0.492011D+01 -0.329653D+01  0.437912D+01  0.170515D+01
               271           272           273           274           275 
      1  -0.263176D+01  0.270426D+01  0.332354D+01  0.194764D+01 -0.609298D+01
      2  -0.165490D+01  0.260560D+01 -0.138869D+01  0.189511D+01 -0.223074D+01
      3  -0.120829D+02  0.141500D+02 -0.263328D-01  0.114129D+02 -0.233152D+02
               276           277           278           279           280 
      1  -0.343679D+01  0.206428D+01 -0.994668D+00 -0.906071D+00  0.251693D+01
      2   0.912315D+00 -0.210766D+01  0.855992D+00 -0.511636D+00 -0.407141D+01
      3  -0.358742D+00  0.244238D+01 -0.484383D+01 -0.260218D+01 -0.480815D+00
               281           282           283           284           285 
      1   0.135203D+01  0.201697D+01  0.127825D+01  0.345819D+01  0.272878D+01
      2  -0.371431D+00 -0.321138D+01 -0.242945D+01 -0.174605D+01 -0.469930D+01
      3   0.146428D+01 -0.137842D+01  0.174697D+01  0.152018D+01  0.718536D+00
               286           287           288           289           290 
      1   0.121643D+01  0.485251D+01  0.144323D+02 -0.109868D+01 -0.130700D+01
      2  -0.425404D+01 -0.743605D+00 -0.202096D+02  0.434559D+01  0.319957D+00
      3  -0.160900D+01  0.350796D+01 -0.421124D+00  0.625156D+01 -0.504248D+01
               291           292           293           294           295 
      1  -0.342770D+01 -0.148264D+01 -0.184506D+01 -0.126494D+01 -0.212753D+01
      2   0.617559D+01  0.185496D+01  0.904314D+00  0.148549D+01  0.226980D+01
      3   0.934717D+00 -0.634239D+00 -0.458183D+01  0.511898D-01  0.382166D-01
               296           297 
      1   0.852012D-01  0.134156D+01
      2   0.691233D+00 -0.160875D+01
      3  -0.113553D+01  0.749400D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.620389D+01 -0.429173D+01 -0.191609D+02  0.123700D+02 -0.123406D+02
      2   0.590768D+00  0.456634D+00  0.336790D+01 -0.178358D+01  0.199396D+02
      3   0.561312D+01  0.383509D+01  0.157930D+02 -0.105864D+02 -0.759902D+01
      4  -0.694379D+01 -0.276166D+01 -0.821987D+01  0.249650D+01 -0.124052D+01
      5  -0.174493D+02 -0.714439D+01  0.594728D+00 -0.760728D+01 -0.232576D+01
      6  -0.101747D+02 -0.386643D+00 -0.893122D+00 -0.350890D+01  0.982049D+00
                 6             7             8             9            10 
      1  -0.442131D+01  0.314993D+02  0.110833D+02  0.139701D+02  0.586633D+02
      2   0.842071D+01 -0.896258D+01 -0.114571D+01 -0.623955D+01 -0.225037D+02
      3  -0.399939D+01 -0.225367D+02 -0.993760D+01 -0.773054D+01 -0.361596D+02
      4  -0.154609D+01  0.572173D+01  0.118962D+01 -0.445862D+01  0.754681D+01
      5  -0.686907D+01  0.136846D+02 -0.393599D+01 -0.390047D+01  0.837772D+01
      6   0.139621D+01 -0.613535D+01 -0.386092D+01 -0.113866D+02  0.164253D+01
                11            12            13            14            15 
      1   0.511897D+01  0.432458D+01  0.184451D+01 -0.275130D+01 -0.577137D+01
      2  -0.201574D+00  0.318825D+01  0.415476D+01  0.798159D+01  0.301635D+01
      3  -0.491739D+01 -0.751283D+01 -0.599927D+01 -0.523030D+01  0.275502D+01
      4   0.517443D+00  0.404513D+01  0.153996D+02  0.441107D+01  0.602580D+00
      5   0.527579D+01  0.680750D+01 -0.816362D+01  0.105686D+01  0.210462D+01
      6   0.878604D+00  0.249947D+01 -0.746151D+01 -0.538317D+01  0.973283D+01
                16            17            18            19            20 
      1   0.998088D+01 -0.663487D+01 -0.145971D+02  0.501136D+01  0.119197D+02
      2  -0.448942D+01 -0.488577D+01  0.382074D+00  0.443882D+01 -0.102219D+02
      3  -0.549145D+01  0.115206D+02  0.142151D+02 -0.945018D+01 -0.169782D+01
      4  -0.117060D+02  0.713475D+00 -0.370697D+00  0.177680D+01  0.548425D+01
      5  -0.117139D+02  0.349709D+00 -0.312917D+01  0.180648D+02  0.290793D+01
      6  -0.217612D+01  0.969552D+00  0.576597D+01  0.731188D+01 -0.212523D+01
                21            22            23            24            25 
      1   0.205706D+02 -0.110314D+02 -0.346545D+01  0.152646D+02 -0.233474D+02
      2  -0.945082D+01 -0.167421D+01  0.620695D+01  0.258935D+00  0.416130D+01
      3  -0.111198D+02  0.127056D+02 -0.274150D+01 -0.155236D+02  0.191861D+02
      4   0.421959D+01  0.638722D+01 -0.714584D+01 -0.697639D+00 -0.257516D+01
      5  -0.534053D+01  0.942668D+01  0.134113D+01  0.139617D+00  0.103718D+02
      6  -0.487329D+01  0.423996D+01  0.114971D+00  0.393680D+01  0.136042D+02
                26            27            28            29            30 
      1   0.380308D+01  0.503827D+01  0.160879D+02  0.226381D+01 -0.472582D+01
      2  -0.472805D+00  0.125670D+01 -0.162141D+01  0.114012D+01 -0.918895D+00
      3  -0.333027D+01 -0.629496D+01 -0.144664D+02 -0.340393D+01  0.564471D+01
      4  -0.982445D+00  0.753138D+01  0.746152D+01  0.501221D+01  0.807221D+00
      5   0.666410D+01  0.588868D+01 -0.390917D+01  0.751549D+00  0.810569D+01
      6   0.684132D+01 -0.805265D+01 -0.862132D+01  0.153134D+01  0.350901D+01
                31            32            33            34            35 
      1  -0.459409D+01 -0.114405D+01 -0.764573D+01  0.253814D+01 -0.491636D+01
      2   0.579720D+01  0.538603D+01  0.252029D+00 -0.619434D+01 -0.813789D+01
      3  -0.120312D+01 -0.424198D+01  0.739370D+01  0.365620D+01  0.130543D+02
      4   0.188255D+02  0.265725D+00 -0.278118D+01 -0.117210D+02 -0.757661D+01
      5  -0.141930D+02 -0.231838D+01  0.255346D+01 -0.129599D+02  0.573526D+00
      6  -0.250563D+01 -0.381124D+01  0.829831D+01 -0.604864D+01  0.280232D+00
                36            37            38            39            40 
      1  -0.188554D+02  0.853843D+01 -0.134377D+01 -0.242799D+02  0.418731D+01
      2   0.395803D+01 -0.878177D+01 -0.162852D+01  0.216409D+01  0.512523D+01
      3   0.148973D+02  0.243342D+00  0.297229D+01  0.221158D+02 -0.931254D+01
      4   0.132304D+01 -0.874643D+01 -0.561104D+01 -0.894235D+01  0.112893D+02
      5   0.116269D+01 -0.510691D+01 -0.617430D+01 -0.512077D+01 -0.490299D+01
      6   0.692211D+01 -0.538662D+01  0.170112D+01 -0.627524D+01 -0.341454D+01
                41            42            43            44            45 
      1  -0.104408D+02  0.399757D+00  0.252514D+02  0.808253D+01  0.774038D+01
      2   0.144389D+02  0.774488D+01 -0.210177D+01  0.423418D+01 -0.543745D+01
      3  -0.399802D+01 -0.814464D+01 -0.231496D+02 -0.123167D+02 -0.230294D+01
      4   0.963086D+00 -0.212764D+01 -0.110410D+01  0.561568D+01 -0.520038D+01
      5  -0.147053D+01 -0.110396D+02  0.613590D+01 -0.606906D+01 -0.353115D+01
      6   0.384106D+01  0.582477D+01 -0.974167D+01 -0.305159D+01 -0.132830D+02
                46            47            48            49            50 
      1  -0.326113D+01  0.766223D+01  0.205339D+02 -0.265395D+02 -0.506030D+01
      2   0.833283D+01 -0.414839D+01 -0.801571D+01  0.900003D+01  0.401638D+01
      3  -0.507170D+01 -0.351384D+01 -0.125182D+02  0.175395D+02  0.104392D+01
      4  -0.223042D+01  0.819843D+01  0.350261D+01  0.103408D+02 -0.367115D+01
      5   0.937654D+01  0.328388D+00 -0.101824D+02  0.264912D+01 -0.289164D+01
      6   0.316124D+01 -0.556922D+01 -0.676366D+01  0.649610D+00 -0.105698D+01
                51            52            53            54            55 
      1   0.192552D+02 -0.338984D+02  0.327162D+01 -0.324122D+01 -0.585684D+02
      2   0.137567D+01  0.486097D+01  0.835014D+00  0.442969D+01  0.241561D+02
      3  -0.206309D+02  0.290374D+02 -0.410663D+01 -0.118847D+01  0.344124D+02
      4  -0.763182D+00 -0.602192D+01 -0.256077D+01  0.508006D+01  0.697096D+01
      5   0.146645D+01 -0.126000D+01  0.483047D+01  0.857109D+01 -0.841165D+01
      6   0.101046D+02  0.960329D+01  0.787462D+01 -0.109886D+02 -0.211243D+01
                56            57            58            59            60 
      1   0.874202D+01 -0.579177D+01  0.512781D+02 -0.160234D+01  0.136647D+02
      2  -0.532158D+01  0.330102D-01 -0.369076D+02 -0.175073D+02 -0.116829D+02
      3  -0.342044D+01  0.575876D+01 -0.143705D+02  0.191097D+02 -0.198184D+01
      4  -0.121627D+02  0.502415D+01 -0.288695D+02 -0.415924D+02 -0.117820D+02
      5   0.452973D+01 -0.163174D+02  0.130816D+02 -0.119409D+02  0.207076D+00
      6   0.100824D+01 -0.368835D+01 -0.486512D+00 -0.691700D+01 -0.911287D+00
                61            62            63            64            65 
      1  -0.413908D+02  0.105009D+02 -0.158904D+02 -0.155326D+02 -0.415602D+02
      2   0.103994D+02 -0.118903D+02  0.133366D+02  0.135060D+02  0.204418D+02
      3   0.309914D+02  0.138943D+01  0.255383D+01  0.202662D+01  0.211183D+02
      4   0.849791D+01 -0.198142D+02 -0.821001D+01 -0.466125D+02  0.650566D+01
      5  -0.351870D+02 -0.777377D+01  0.362768D+02 -0.649349D+01 -0.130103D+02
      6  -0.686698D+01 -0.401940D+01  0.928280D+01 -0.375342D+01 -0.305270D+01
                66            67            68            69            70 
      1  -0.104009D+02 -0.917215D+02  0.134325D+02 -0.156599D+02  0.154748D+02
      2   0.107273D+01  0.488115D+02 -0.830989D+01  0.680317D+01 -0.697644D+01
      3   0.932817D+01  0.429101D+02 -0.512262D+01  0.885678D+01 -0.849837D+01
      4  -0.117107D+02  0.152189D+02  0.420510D+02  0.179142D+02 -0.146174D+02
      5   0.253022D+02 -0.252338D+02  0.189051D+02 -0.187033D+01  0.503998D+02
      6  -0.197005D+01  0.318197D+01 -0.102537D+01 -0.292179D+00 -0.195912D+00
                71            72            73            74            75 
      1  -0.998522D+01  0.491684D+02  0.388729D+02  0.385412D+02 -0.223835D+01
      2   0.267745D+01 -0.149290D+02 -0.314363D+02 -0.168707D+02 -0.434648D+01
      3   0.730778D+01 -0.342394D+02 -0.743668D+01 -0.216705D+02  0.658483D+01
      4   0.220160D+02 -0.106691D+01  0.348555D+02 -0.192274D+02  0.136302D+02
      5  -0.497379D-01 -0.494514D+02 -0.443459D+01  0.139550D+02 -0.250206D+02
      6   0.616129D+01  0.223424D+00  0.799317D+01 -0.441430D+01  0.125338D+02
                76            77            78            79            80 
      1   0.431920D+02 -0.184639D+02  0.664370D+01 -0.742430D+01  0.902799D+01
      2  -0.188745D+02  0.130044D+02  0.387130D+01 -0.585220D+01  0.368481D+01
      3  -0.243175D+02  0.545942D+01 -0.105150D+02  0.132765D+02 -0.127128D+02
      4  -0.255712D+02 -0.136146D+02 -0.251324D+02  0.161142D+02 -0.346059D+02
      5   0.162729D+02 -0.237928D+02  0.818315D+01 -0.378932D+02  0.167529D+02
      6  -0.861172D+01  0.131824D+02 -0.357622D+01  0.143919D+02 -0.830662D+01
                81            82            83            84            85 
      1  -0.283677D+02  0.278506D+02  0.465725D+02  0.143391D+01  0.707471D+02
      2   0.169455D+02 -0.813741D+01 -0.265563D+02  0.274974D+01 -0.416238D+02
      3   0.114222D+02 -0.197132D+02 -0.200161D+02 -0.418365D+01 -0.291233D+02
      4   0.238281D+02  0.505451D+02 -0.491548D+01  0.203996D+02 -0.237099D+02
      5   0.394563D+02 -0.250274D+01  0.224235D+02 -0.405600D+02  0.303053D+02
      6  -0.122986D+02  0.650210D+01 -0.825272D+00 -0.807692D+00 -0.601176D+01
                86            87            88            89            90 
      1  -0.980019D+01  0.292282D+02 -0.738015D+01  0.244481D+02 -0.588228D+02
      2   0.167669D+00 -0.202327D+02  0.694371D+01 -0.173700D+02  0.296702D+02
      3   0.963252D+01 -0.899544D+01  0.436446D+00 -0.707816D+01  0.291526D+02
      4  -0.530103D+02 -0.376194D+02  0.224397D+02 -0.348620D+02 -0.400605D+01
      5  -0.404795D+02  0.402649D+01 -0.661700D+02 -0.248826D+01  0.348984D+02
      6  -0.128700D+02 -0.772518D+01 -0.239429D+01 -0.793964D+01  0.540732D+01
                91            92            93            94            95 
      1   0.707714D+00  0.197062D+02 -0.839570D+01  0.335445D+02 -0.164558D+02
      2  -0.775380D+00 -0.137321D+02  0.537757D+01 -0.202447D+02  0.469031D+01
      3   0.676657D-01 -0.597412D+01  0.301813D+01 -0.132998D+02  0.117655D+02
      4   0.164305D+02 -0.136727D+02  0.186504D+01 -0.478759D+02 -0.747726D+00
      5  -0.631599D+01  0.199535D+01 -0.680076D+01  0.102398D+02  0.621931D+01
      6   0.144384D+01  0.161102D+01 -0.615809D+01  0.658192D+01  0.882259D+01
                96            97            98            99           100 
      1  -0.192844D+01 -0.172700D+00 -0.443623D+01  0.225776D+01 -0.445680D+01
      2   0.375383D+01  0.781603D+01  0.124744D+02 -0.317757D+01  0.578534D+01
      3  -0.182539D+01 -0.764333D+01 -0.803814D+01  0.919809D+00 -0.132854D+01
      4   0.652258D+01  0.115957D+02  0.187282D+02 -0.259233D+02  0.153975D+01
      5  -0.199095D+02 -0.135668D+02 -0.249136D+02 -0.228067D+02  0.159886D+02
      6  -0.113207D+02 -0.142333D+02 -0.132808D+02 -0.775299D+01 -0.120486D+01
               101           102           103           104           105 
      1  -0.660797D+01  0.102302D+02  0.658077D+01  0.209524D+02 -0.314401D+01
      2   0.372140D+01 -0.705626D+01 -0.101720D+02 -0.662738D+01  0.265355D+01
      3   0.288657D+01 -0.317389D+01  0.359128D+01 -0.143250D+02  0.490455D+00
      4   0.119374D+02 -0.197790D+01  0.233549D+02 -0.148758D+02 -0.147630D+00
      5  -0.144947D+01 -0.158892D+02 -0.296632D+01  0.134252D+00  0.309175D+02
      6   0.182436D+00  0.856292D+01 -0.234763D+01  0.200119D+01 -0.670376D+01
               106           107           108           109           110 
      1   0.354489D+02 -0.944904D+01 -0.185374D+02  0.461696D+02 -0.892155D+01
      2  -0.154854D+02 -0.106418D+01  0.158366D+02 -0.267644D+02  0.416049D+01
      3  -0.199636D+02  0.105132D+02  0.270077D+01 -0.194052D+02  0.476106D+01
      4  -0.205773D+02  0.158243D+02  0.230547D+02 -0.154533D+02  0.109944D+02
      5  -0.379015D+02  0.231791D+02  0.278460D+02 -0.384294D+02  0.350370D+01
      6   0.123510D+02 -0.131595D+02 -0.512592D+01  0.754104D+01 -0.328828D+01
               111           112           113           114           115 
      1  -0.276334D+02 -0.157960D+02  0.613400D+00  0.175160D+00 -0.567516D+02
      2   0.184167D+02  0.529359D+01  0.375824D+01 -0.770390D+00  0.318387D+02
      3   0.921674D+01  0.105024D+02 -0.437164D+01  0.595230D+00  0.249129D+02
      4   0.606681D+01  0.185507D+02 -0.152307D+02 -0.179264D+02  0.234483D+02
      5   0.304009D+02  0.101023D+02 -0.185149D+02 -0.206868D+02  0.489479D+02
      6  -0.585590D+01 -0.388373D+01  0.897860D+01  0.142274D+02 -0.794469D+01
               116           117           118           119           120 
      1   0.651330D+01  0.150294D+02  0.302497D+01  0.101747D+02  0.142229D+02
      2  -0.193530D+01 -0.244990D+02 -0.111473D+02  0.341873D+01 -0.104214D+02
      3  -0.457800D+01  0.946960D+01  0.812229D+01 -0.135934D+02 -0.380150D+01
      4  -0.295743D+02 -0.152795D+02  0.189528D+02 -0.258892D+02  0.393638D+00
      5  -0.149072D+02 -0.760174D+02  0.127339D+02  0.389241D+01  0.103713D+02
      6   0.149590D+02  0.196780D+02 -0.521847D+00 -0.199451D+01 -0.131458D+01
               121           122           123           124           125 
      1   0.188828D+02 -0.319417D+02  0.855985D+01  0.283857D+02  0.172769D+01
      2   0.169730D+01  0.841004D+01 -0.517994D+01 -0.167060D+02 -0.256823D+01
      3  -0.205801D+02  0.235317D+02 -0.337991D+01 -0.116796D+02  0.840537D+00
      4  -0.324364D+02  0.378597D+02  0.521263D+01 -0.145801D+02  0.170683D+02
      5   0.281026D+01  0.472927D+01 -0.562041D+01  0.305761D+02 -0.182771D+02
      6  -0.160772D+01 -0.445969D+01  0.855254D+01 -0.857725D+01  0.144403D+02
               126           127           128           129           130 
      1   0.480344D+01  0.277684D+00 -0.295052D+01 -0.199599D+01 -0.787561D+00
      2  -0.137662D+02 -0.948516D+00  0.253083D+01  0.888142D-01  0.546129D-01
      3   0.896280D+01  0.670831D+00  0.419690D+00  0.190717D+01  0.732948D+00
      4  -0.154039D+02  0.432408D+01  0.458228D+01  0.447710D+01  0.412382D+01
      5   0.429830D+02  0.768189D+01  0.484367D+01  0.863282D+01  0.621633D+01
      6  -0.149229D+02  0.541282D+01  0.451018D+01  0.619565D+01  0.516768D+01
               131           132           133           134           135 
      1  -0.757681D+01 -0.868511D+01 -0.387544D+01 -0.116664D+02 -0.198267D+02
      2   0.428901D+01  0.115665D+01 -0.116058D+01  0.475503D+01 -0.221725D-01
      3   0.328780D+01  0.752846D+01  0.503602D+01  0.691132D+01  0.198489D+02
      4   0.537235D+01  0.420062D+01  0.427163D+01  0.427544D+01  0.494274D+01
      5   0.581615D+01  0.836563D+01  0.973377D+01  0.666058D+01  0.144167D+02
      6   0.904541D+01  0.104292D+02  0.679687D+01  0.128916D+02  0.179746D+02
               136           137           138           139           140 
      1   0.373950D+01 -0.685361D-01  0.199303D+01  0.132186D+01 -0.225561D+01
      2  -0.539872D+01  0.631408D+00  0.356379D+01  0.746669D+00  0.427934D+00
      3   0.165922D+01 -0.562872D+00 -0.555683D+01 -0.206853D+01  0.182767D+01
      4  -0.431475D+01  0.304291D+01  0.256017D+01  0.282328D+01 -0.166277D+01
      5  -0.951747D+01  0.142327D+01  0.921815D+01  0.253414D+01 -0.236017D+01
      6   0.101735D+01 -0.187553D+01 -0.122556D+01 -0.202992D+01  0.242247D+01
               141           142           143           144           145 
      1  -0.480156D+01  0.423782D+01 -0.376248D+01 -0.144964D+02 -0.309048D+01
      2  -0.813197D+00  0.390576D+01  0.438247D+00 -0.689679D+01 -0.230017D+01
      3   0.561476D+01 -0.814359D+01  0.332424D+01  0.213932D+02  0.539065D+01
      4  -0.233907D+01  0.471019D+01 -0.447455D+01 -0.628283D+01  0.462694D+01
      5  -0.244536D+01  0.112651D+02 -0.310414D+01 -0.154229D+02  0.102369D+02
      6   0.378779D+01 -0.364420D+01  0.548015D+01  0.720288D+01  0.626796D+01
               146           147           148           149           150 
      1  -0.361726D+01 -0.513872D+01 -0.395546D+01 -0.791395D+01 -0.126270D+02
      2   0.828174D+00 -0.204564D+01 -0.127627D+01  0.152363D+01 -0.158489D+01
      3   0.278908D+01  0.718437D+01  0.523173D+01  0.639031D+01  0.142119D+02
      4   0.444896D+01  0.423102D+01  0.313589D+01  0.359335D+01  0.342905D+01
      5   0.597468D+01  0.119054D+02  0.672114D+01  0.557776D+01  0.982000D+01
      6   0.524760D+01  0.700081D+01  0.474981D+01  0.843070D+01  0.108703D+02
               151           152           153           154           155 
      1  -0.810960D+01 -0.128847D+02 -0.269749D+02 -0.119732D+00 -0.602990D+00
      2  -0.253918D+01  0.106289D+01 -0.700202D+01 -0.860114D+01  0.121704D+01
      3   0.106488D+02  0.118218D+02  0.339770D+02  0.872088D+01 -0.614052D+00
      4   0.390906D+01  0.384816D+01  0.409024D+01 -0.364666D+01  0.308550D+01
      5   0.112078D+02  0.732326D+01  0.179555D+02 -0.160275D+02  0.196802D+01
      6   0.735364D+01  0.133249D+02  0.198301D+02  0.643794D+00 -0.242458D+01
               156           157           158           159           160 
      1   0.457056D+01  0.453415D+01 -0.241336D+01 -0.653805D+01  0.419015D+01
      2   0.892051D+01 -0.426351D+00 -0.360298D+00 -0.250685D+01  0.974586D+01
      3  -0.134911D+02 -0.410780D+01  0.277365D+01  0.904490D+01 -0.139360D+02
      4   0.303637D+01  0.836961D+00 -0.120766D+01 -0.293510D+01  0.496021D+01
      5   0.171514D+02  0.199655D+01 -0.287759D+01 -0.377259D+01  0.174950D+02
      6  -0.214427D+00 -0.189984D+01  0.231969D+01  0.374332D+01 -0.321368D+01
               161           162           163           164           165 
      1  -0.356191D+01 -0.211604D+02  0.150304D+02 -0.440615D+00 -0.757672D+01
      2  -0.118640D+01 -0.157636D+02 -0.112773D+02  0.457082D+00  0.621648D+01
      3   0.474831D+01  0.369240D+02 -0.375308D+01 -0.164670D-01  0.136023D+01
      4  -0.417810D+01 -0.626231D+01  0.353224D+01  0.720917D+01 -0.620117D+01
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               166           167           168           169           170 
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               216           217           218           219           220 
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      6   0.266215D+00  0.415087D+01  0.400547D+01  0.414187D+01 -0.748713D+01
               226           227           228           229           230 
      1   0.336200D+01  0.916386D+01  0.483349D+01  0.237401D+02  0.593791D+01
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      6   0.238893D+01  0.869448D+00  0.284618D+00  0.615470D+01  0.175351D+02
               231           232           233           234           235 
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               236           237           238           239           240 
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               241           242           243           244           245 
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      6  -0.199994D+01  0.489054D+01 -0.311868D+01  0.591252D+01  0.151012D+01
               246           247           248           249           250 
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      6   0.330031D+01  0.312209D+01  0.603265D+01  0.959752D+01  0.536704D+01
               251           252           253           254           255 
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      6   0.867748D+01  0.160171D+02  0.677309D+01  0.532816D+00  0.336755D+01
               256           257           258           259           260 
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      4   0.550260D+01  0.676183D+01 -0.992543D+01 -0.576643D+01 -0.184218D+02
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      6  -0.698555D+01 -0.101433D+02  0.141713D+02  0.115450D+02  0.165099D+02
               261           262           263           264           265 
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      6   0.364412D+01 -0.492215D+01  0.459020D+01 -0.252889D+01  0.616656D+01
               266           267           268           269           270 
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      4  -0.630520D+02  0.126253D+02  0.103009D+02 -0.113785D+02 -0.502358D+01
      5   0.147691D+02 -0.126255D+02  0.507908D+01 -0.465072D+01  0.388778D+01
      6  -0.919272D+01  0.559247D+01 -0.235186D+01  0.350056D+01 -0.154128D+01
               271           272           273           274           275 
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      5   0.261190D+01 -0.260923D+01 -0.316527D+01 -0.398825D+01  0.419086D+01
      6  -0.125887D+01  0.417917D+01 -0.473076D+01  0.141512D+01 -0.620666D+01
               276           277           278           279           280 
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      2   0.537306D+00 -0.257022D+01  0.948680D+01  0.422123D+01 -0.234991D+01
      3  -0.681119D+00 -0.122741D+01 -0.323528D+01  0.214608D+01  0.817413D+00
      4  -0.255232D+00  0.136005D+01  0.769148D+01 -0.725348D+00  0.300008D+01
      5   0.257823D+01 -0.124249D+01  0.181509D+01  0.514956D+00 -0.402022D+01
      6   0.561012D+01 -0.286019D+01  0.501798D+01  0.662366D+00 -0.189880D+01
               281           282           283           284           285 
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      2  -0.451592D+01  0.102443D+01 -0.121599D+01 -0.209629D+00 -0.352131D+01
      3  -0.421302D+00  0.683603D+01  0.207830D+01  0.334635D+01  0.642971D+01
      4   0.427087D+00 -0.240411D+01 -0.149110D+01 -0.594910D+01 -0.173828D+01
      5  -0.433334D+00 -0.625725D+00  0.112593D+01 -0.685547D+00 -0.758557D+01
      6   0.145234D+01 -0.294199D+01  0.109727D+01  0.141876D+01 -0.911568D+00
               286           287           288           289           290 
      1  -0.882340D+01  0.166725D+01 -0.185167D+02  0.810573D+02  0.269036D+02
      2   0.324452D+01 -0.560227D+01 -0.148670D+02 -0.247741D+02 -0.103682D+01
      3   0.557888D+01  0.393501D+01  0.333838D+02 -0.562831D+02 -0.258668D+02
      4  -0.636888D+01 -0.879198D+01 -0.310705D+01  0.722949D+02  0.421532D+02
      5   0.552363D+01  0.406366D+00 -0.332389D+02 -0.230897D+02 -0.109682D+02
      6   0.439766D+00  0.453894D+01 -0.197697D+02 -0.951909D+01 -0.737582D+01
               291           292           293           294           295 
      1  -0.619703D+01  0.179594D+02  0.949848D+01 -0.192423D+01  0.126904D+01
      2   0.246246D+01  0.771814D+00  0.671046D+01  0.114434D+00  0.116882D+01
      3   0.373457D+01 -0.187313D+02 -0.162089D+02  0.180979D+01 -0.243786D+01
      4  -0.100029D+02  0.330346D+02  0.262133D+02 -0.386778D+01  0.179367D+00
      5   0.137352D+02 -0.698815D+01 -0.385037D+01  0.356704D+01  0.120165D+02
      6   0.768958D+01 -0.470826D+01 -0.426217D+01  0.298776D+01  0.605694D+01
               296           297 
      1  -0.978324D+00  0.558669D+01
      2   0.205059D+01 -0.424642D+01
      3  -0.107226D+01 -0.134027D+01
      4   0.159256D+01  0.591300D+01
      5   0.462739D+01 -0.500621D+01
      6   0.322247D+01 -0.249979D+01
 Leave Link  716 at Wed Sep  8 15:56:14 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228798D+03  0.931989D+01 -0.433528D+01
      2   0.931989D+01  0.141133D+03  0.697285D+01
      3  -0.433528D+01  0.697285D+01  0.153558D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.711067D+01 -0.137152D+01 -0.614149D+01
      2  -0.436243D+02 -0.167976D+02 -0.380930D+02
      3   0.296872D+02  0.563635D+02  0.910141D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.272148D+03 -0.772109D+02 -0.520989D+02
      2   0.147827D+03  0.701355D+02  0.165653D+01
      3   0.124321D+03  0.707542D+01  0.504423D+02
      4  -0.109889D+02 -0.102309D+03 -0.297407D+02
      5  -0.471215D+02 -0.278317D+02 -0.801876D+02
      6  -0.758552D+01 -0.228016D+02  0.196844D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112949D+02  0.245420D+01 -0.929718D+00 -0.313886D+00 -0.604796D-01
      2   0.245420D+01 -0.202754D+00  0.345310D+00 -0.604796D-01 -0.382205D+01
      3  -0.929718D+00  0.345310D+00 -0.219828D+01  0.162903D+01 -0.157584D+01
                 6             7             8             9            10 
      1   0.162903D+01 -0.136143D+02 -0.110757D+01  0.411918D+00 -0.336508D+02
      2  -0.157584D+01 -0.110757D+01 -0.192028D+00  0.127250D+01 -0.355656D+01
      3   0.928130D+00  0.411918D+00  0.127250D+01 -0.173492D+01 -0.293724D+00
                11            12            13            14            15 
      1  -0.355656D+01 -0.293724D+00 -0.802163D+01 -0.521296D+01  0.126908D+01
      2  -0.198422D+01 -0.755166D+00 -0.521296D+01 -0.298850D+01  0.397112D+00
      3  -0.755166D+00 -0.290233D+01  0.126908D+01  0.397112D+00 -0.870102D+00
                16            17            18            19            20 
      1  -0.157814D+01  0.149571D+01 -0.141556D+01 -0.981940D+01 -0.281485D+01
      2   0.149571D+01  0.687437D+00 -0.136987D-01 -0.281485D+01  0.222019D+01
      3  -0.141556D+01 -0.136987D-01  0.159316D+01  0.446174D+00  0.152516D+01
                21            22            23            24            25 
      1   0.446174D+00 -0.965056D+01 -0.241013D+00  0.809691D+00 -0.128887D+02
      2   0.152516D+01 -0.241013D+00 -0.154943D+01 -0.167698D+01 -0.290396D+01
      3   0.170425D+01  0.809691D+00 -0.167698D+01  0.205802D+01  0.312925D+00
                26            27            28            29            30 
      1  -0.290396D+01  0.312925D+00  0.310382D+02  0.480169D+01 -0.175270D+01
      2  -0.135369D+01  0.129028D+01  0.480169D+01  0.267280D+01  0.798034D-01
      3   0.129028D+01 -0.242005D+01 -0.175270D+01  0.798034D-01  0.263650D+01
                31            32            33            34            35 
      1   0.557628D+01  0.594959D+01 -0.162391D+01 -0.124022D+01 -0.113212D+01
      2   0.594959D+01  0.226747D+01 -0.695979D+00 -0.113212D+01 -0.183773D+01
      3  -0.162391D+01 -0.695979D+00  0.168635D+01  0.122624D+01  0.315008D+00
                36            37            38            39            40 
      1   0.122624D+01 -0.137982D+02 -0.317786D+01  0.127774D+01 -0.123974D+01
      2   0.315008D+00 -0.317786D+01  0.835556D-02 -0.385321D+00  0.854504D+00
      3   0.762931D+00  0.127774D+01 -0.385321D+00  0.389783D+01 -0.174644D+01
                41            42            43            44            45 
      1   0.854504D+00 -0.174644D+01  0.156352D+02  0.924622D+00 -0.173378D+01
      2   0.411340D+01  0.194753D+01  0.924622D+00  0.910826D+00 -0.147436D+01
      3   0.194753D+01 -0.915108D+00 -0.173378D+01 -0.147436D+01  0.139187D+01
                46            47            48            49            50 
      1   0.120726D+02  0.281981D+01 -0.718933D+00  0.119772D+02 -0.523491D+00
      2   0.281981D+01 -0.199639D+01 -0.155279D+01 -0.523491D+00  0.117108D+01
      3  -0.718933D+00 -0.155279D+01 -0.264564D+01 -0.342578D+00  0.209984D+01
                51            52            53            54            55 
      1  -0.342578D+00  0.123401D+02  0.260875D+01  0.123338D+01  0.201450D+02
      2   0.209984D+01  0.260875D+01  0.146057D+01 -0.135063D+01 -0.217780D+00
      3  -0.329608D+01  0.123338D+01 -0.135063D+01  0.169611D+01  0.118373D+01
                56            57            58            59            60 
      1  -0.217780D+00  0.118373D+01 -0.509518D+01  0.472508D+01 -0.135450D+01
      2   0.167715D+01 -0.653892D+00  0.472508D+01  0.615426D+01  0.176010D+01
      3  -0.653892D+00  0.211842D+01 -0.135450D+01  0.176010D+01 -0.375870D-01
                61            62            63            64            65 
      1   0.947257D+01 -0.793430D+00  0.421851D+01 -0.448620D+01  0.461745D+01
      2  -0.793430D+00  0.309614D+01  0.110452D+01  0.461745D+01 -0.924613D+00
      3   0.421851D+01  0.110452D+01 -0.469822D+01  0.268134D+00  0.140730D+01
                66            67            68            69            70 
      1   0.268134D+00  0.146022D+02 -0.187207D+01  0.251767D+01 -0.744794D+01
      2   0.140730D+01 -0.187207D+01 -0.503893D+01 -0.203564D+01  0.125223D+01
      3  -0.347579D+01  0.251767D+01 -0.203564D+01  0.432391D+00 -0.549834D+01
                71            72            73            74            75 
      1   0.125223D+01 -0.549834D+01 -0.329761D+01 -0.513333D+01  0.675872D+00
      2  -0.304030D+01  0.812184D-01 -0.513333D+01  0.966499D+00 -0.145280D+01
      3   0.812184D-01  0.638880D+01  0.675872D+00 -0.145280D+01  0.300779D+01
                76            77            78            79            80 
      1  -0.623899D+01  0.130438D+01 -0.182576D+01  0.205045D+01 -0.172940D+01
      2   0.130438D+01  0.216615D+01  0.265545D+01 -0.172940D+01  0.385057D+01
      3  -0.182576D+01  0.265545D+01 -0.967534D+00  0.422419D+01 -0.187395D+01
                81            82            83            84            85 
      1   0.422419D+01 -0.299292D+01 -0.432946D+01 -0.386440D-01 -0.751140D+01
      2  -0.187395D+01 -0.432946D+01  0.533431D+00 -0.180222D+01  0.244571D+01
      3  -0.449998D+01 -0.386440D-01 -0.180222D+01  0.351097D+01 -0.233652D+01
                86            87            88            89            90 
      1   0.244571D+01 -0.233652D+01  0.164916D+01 -0.189252D+01  0.557371D+01
      2   0.530184D+01  0.358377D+01 -0.189252D+01  0.355544D+01  0.366265D+00
      3   0.358377D+01 -0.319429D+00  0.557371D+01  0.366265D+00 -0.328462D+01
                91            92            93            94            95 
      1  -0.676982D+01  0.455646D+00 -0.573096D+00  0.477115D+01 -0.685693D+01
      2   0.455646D+00 -0.294491D+01  0.698330D+00 -0.685693D+01 -0.472082D+00
      3  -0.573096D+00  0.698330D+00 -0.135802D+01  0.134592D+01  0.129374D+01
                96            97            98            99           100 
      1   0.134592D+01  0.292443D+01  0.208041D+01 -0.233600D+01 -0.242808D+01
      2   0.129374D+01  0.208041D+01  0.350682D+01 -0.363904D+01 -0.392414D+00
      3  -0.283504D+01 -0.233600D+01 -0.363904D+01 -0.301952D+01  0.218706D+01
               101           102           103           104           105 
      1  -0.392414D+00  0.218706D+01 -0.333985D+00  0.289510D+01 -0.653631D+00
      2   0.204298D+01 -0.123876D+00  0.289510D+01 -0.318645D+01 -0.182445D+00
      3  -0.123876D+00 -0.104531D+01 -0.653631D+00 -0.182445D+00  0.193306D+01
               106           107           108           109           110 
      1   0.583855D+01 -0.236532D+01 -0.277601D+01  0.533919D+01 -0.121210D+01
      2  -0.236532D+01  0.105360D+01  0.276786D+01 -0.121210D+01  0.346517D+00
      3  -0.277601D+01  0.276786D+01  0.317443D+01 -0.394111D+01  0.321359D+00
               111           112           113           114           115 
      1  -0.394111D+01 -0.372409D+01  0.141689D+01  0.100966D+01 -0.117290D+02
      2   0.321359D+00  0.141689D+01 -0.132781D+01 -0.211560D+01  0.208515D+01
      3   0.226039D+01  0.100966D+01 -0.211560D+01 -0.188047D+01  0.463238D+01
               116           117           118           119           120 
      1   0.208515D+01  0.463238D+01 -0.486646D+00  0.201448D+01  0.125797D+01
      2  -0.325523D+01 -0.169435D+01  0.201448D+01 -0.354467D+01  0.365164D+00
      3  -0.169435D+01 -0.860410D+01  0.125797D+01  0.365164D+00  0.113103D+00
               121           122           123           124           125 
      1   0.187285D+01 -0.381984D+01  0.533281D+00  0.598010D+01 -0.105765D+01
      2  -0.381984D+01  0.426950D+01  0.854809D+00 -0.105765D+01  0.187958D+01
      3   0.533281D+00  0.854809D+00 -0.144383D+00  0.199078D+01 -0.212444D+01
               126           127           128           129           130 
      1   0.199078D+01 -0.204177D+01 -0.118292D+01 -0.164134D+01 -0.163137D+01
      2  -0.212444D+01 -0.118292D+01 -0.990133D+00 -0.111682D+01 -0.961708D+00
      3   0.455278D+01 -0.164134D+01 -0.111682D+01 -0.143000D+01 -0.164824D+01
               131           132           133           134           135 
      1  -0.961708D+00 -0.164824D+01 -0.189226D+01 -0.124297D+01 -0.214664D+01
      2  -0.145806D+01 -0.168902D+01 -0.124297D+01 -0.228092D+01 -0.288249D+01
      3  -0.168902D+01 -0.279548D+01 -0.214664D+01 -0.288249D+01 -0.541939D+01
               136           137           138           139           140 
      1   0.349481D+01 -0.241228D+00 -0.208600D+01 -0.598328D+00  0.257157D+00
      2  -0.241228D+00  0.420673D+00  0.254571D+00  0.257157D+00 -0.479254D+00
      3  -0.208600D+01  0.254571D+00  0.204655D+01  0.608972D+00 -0.509856D+00
               141           142           143           144           145 
      1   0.608972D+00 -0.260579D+01  0.768437D+00  0.284630D+01  0.203579D+01
      2  -0.509856D+00  0.768437D+00 -0.943602D+00 -0.119939D+01  0.131813D+01
      3  -0.158982D+01  0.284630D+01 -0.119939D+01 -0.511761D+01  0.185916D+01
               146           147           148           149           150 
      1   0.131813D+01  0.185916D+01  0.119537D+01  0.822361D+00  0.155875D+01
      2   0.971411D+00  0.117540D+01  0.822361D+00  0.104125D+01  0.156217D+01
      3   0.117540D+01  0.186194D+01  0.155875D+01  0.156217D+01  0.303024D+01
               151           152           153           154           155 
      1   0.177529D+01  0.122124D+01  0.236808D+01 -0.316817D+01  0.298384D+00
      2   0.122124D+01  0.210727D+01  0.284915D+01  0.298384D+00 -0.220614D+00
      3   0.236808D+01  0.284915D+01  0.643856D+01  0.266447D+01 -0.243419D+00
               156           157           158           159           160 
      1   0.266447D+01  0.405548D+00 -0.230775D+00 -0.479656D+00  0.298508D+01
      2  -0.243419D+00 -0.230775D+00  0.271849D+00  0.470039D+00 -0.709423D+00
      3  -0.304551D+01 -0.479656D+00  0.470039D+00  0.167190D+01 -0.346418D+01
               161           162           163           164           165 
      1  -0.709423D+00 -0.346418D+01 -0.243274D+01 -0.114739D+00  0.164395D+01
      2   0.854907D+00  0.117951D+01 -0.114739D+00 -0.687472D+00  0.628673D+00
      3   0.117951D+01  0.669145D+01  0.164395D+01  0.628673D+00 -0.176886D+01
               166           167           168           169           170 
      1   0.200506D+01 -0.671562D+00  0.229771D+00  0.382454D+01  0.842288D+00
      2  -0.671562D+00 -0.921406D+00  0.728064D+00  0.842288D+00  0.119577D+01
      3   0.229771D+00  0.728064D+00 -0.798862D-01 -0.231421D+01 -0.155661D+01
               171           172           173           174           175 
      1  -0.231421D+01 -0.215921D+01 -0.133635D+01 -0.623407D+00 -0.379801D+01
      2  -0.155661D+01 -0.133635D+01 -0.101660D+01  0.383396D-01 -0.307881D+01
      3   0.581768D+01 -0.623407D+00  0.383396D-01 -0.222088D+00 -0.336845D+00
               176           177           178           179           180 
      1  -0.307881D+01 -0.336845D+00 -0.526942D+01 -0.104681D+01 -0.118187D+01
      2  -0.875574D+01 -0.101145D+01 -0.104681D+01 -0.253428D+01 -0.132199D+01
      3  -0.101145D+01 -0.818159D+00 -0.118187D+01 -0.132199D+01 -0.421531D+00
               181           182           183           184           185 
      1   0.220936D+01 -0.793992D+00 -0.124678D+01 -0.175289D+01  0.185852D+00
      2  -0.793992D+00  0.473786D+00 -0.270426D+00  0.185852D+00  0.579491D+00
      3  -0.124678D+01 -0.270426D+00  0.151145D+01 -0.207995D+00 -0.636128D+00
               186           187           188           189           190 
      1  -0.207995D+00 -0.218830D+01 -0.220861D+00  0.112603D+01 -0.138194D+01
      2  -0.636128D+00 -0.220861D+00 -0.103304D+01  0.315486D-01  0.986823D+00
      3   0.136983D+00  0.112603D+01  0.315486D-01 -0.700695D+01  0.140563D+01
               191           192           193           194           195 
      1   0.986823D+00  0.140563D+01  0.440963D+00 -0.518283D+00  0.327395D-01
      2  -0.910043D+00 -0.307320D+00 -0.518283D+00  0.437736D+00  0.598403D+00
      3  -0.307320D+00 -0.194022D+01  0.327395D-01  0.598403D+00  0.240887D+00
               196           197           198           199           200 
      1   0.239415D+01 -0.676459D+00 -0.234623D+01 -0.416912D+01  0.335662D+01
      2  -0.676459D+00  0.170195D+01  0.158260D+01  0.335662D+01 -0.309416D+01
      3  -0.234623D+01  0.158260D+01  0.616462D+01 -0.152940D+01  0.109924D+01
               201           202           203           204           205 
      1  -0.152940D+01  0.285502D+01 -0.316970D+01  0.125192D+01 -0.297485D+01
      2   0.109924D+01 -0.316970D+01  0.442760D+01 -0.187241D+01  0.209293D+01
      3  -0.143646D+01  0.125192D+01 -0.187241D+01  0.130987D+01 -0.207967D+01
               206           207           208           209           210 
      1   0.209293D+01 -0.207967D+01  0.811558D+01  0.176613D+01  0.222291D+00
      2  -0.318802D+01  0.193933D+01  0.176613D+01  0.278549D+01  0.153162D+00
      3   0.193933D+01 -0.169389D+01  0.222291D+00  0.153162D+00  0.438523D+00
               211           212           213           214           215 
      1   0.166027D+01  0.154166D+01  0.141314D+00  0.394283D+00 -0.838251D-02
      2   0.154166D+01  0.206606D+01 -0.162996D+00 -0.838251D-02 -0.377903D+00
      3   0.141314D+00 -0.162996D+00  0.580235D+00  0.723067D-01  0.710694D+00
               216           217           218           219           220 
      1   0.723067D-01 -0.306240D+01 -0.113086D+00  0.176250D+01  0.455095D+00
      2   0.710694D+00 -0.113086D+00 -0.559178D+00  0.373473D+00 -0.101151D+01
      3   0.375680D+00  0.176250D+01  0.373473D+00 -0.196277D+01  0.289133D+00
               221           222           223           224           225 
      1  -0.101151D+01  0.289133D+00  0.475127D+01  0.984985D+00 -0.339932D+01
      2  -0.804516D+00  0.420541D+00  0.984985D+00  0.111209D+01 -0.668113D+00
      3   0.420541D+00 -0.170946D+00 -0.339932D+01 -0.668113D+00  0.530398D+01
               226           227           228           229           230 
      1  -0.158004D+00 -0.738771D+00 -0.361048D+00 -0.257661D+01 -0.269678D+01
      2  -0.738771D+00 -0.356996D+00 -0.305764D-01 -0.269678D+01 -0.792803D+01
      3  -0.361048D+00 -0.305764D-01 -0.392968D+00 -0.777438D+00 -0.256482D+01
               231           232           233           234           235 
      1  -0.777438D+00 -0.123287D+01 -0.662752D+00 -0.137125D+01 -0.661661D+01
      2  -0.256482D+01 -0.662752D+00 -0.268497D+01 -0.174522D+01  0.196030D+01
      3  -0.181633D+01 -0.137125D+01 -0.174522D+01 -0.137507D+01 -0.265650D+01
               236           237           238           239           240 
      1   0.196030D+01 -0.265650D+01  0.569805D+01 -0.216515D+01  0.201494D+01
      2  -0.125389D+01  0.948940D+00 -0.216515D+01  0.159367D+01 -0.147645D+01
      3   0.948940D+00 -0.203873D+01  0.201494D+01 -0.147645D+01  0.163132D+01
               241           242           243           244           245 
      1  -0.482514D+01  0.113629D+01 -0.346158D+01 -0.215144D+00  0.313074D+00
      2   0.113629D+01 -0.158662D+01  0.967724D+00  0.313074D+00  0.716419D+00
      3  -0.346158D+01  0.967724D+00 -0.252767D+01  0.169822D+01  0.355096D+00
               246           247           248           249           250 
      1   0.169822D+01  0.468337D+00  0.132614D+01  0.500602D+00  0.292601D+01
      2   0.355096D+00  0.132614D+01  0.175677D+01  0.120115D+01  0.748580D+00
      3   0.105361D+01  0.500602D+00  0.120115D+01  0.178202D+01  0.172056D+01
               251           252           253           254           255 
      1   0.748580D+00  0.172056D+01 -0.890813D+01 -0.624753D+01  0.111112D+01
      2   0.171974D+01  0.175714D+01 -0.624753D+01  0.179302D+01  0.408095D+00
      3   0.175714D+01  0.516737D+01  0.111112D+01  0.408095D+00  0.955930D+00
               256           257           258           259           260 
      1  -0.175135D+01  0.369150D+01 -0.785631D+00 -0.370966D+01 -0.137246D+01
      2   0.369150D+01 -0.353079D+00 -0.215168D+01 -0.137246D+01 -0.387376D+01
      3  -0.785631D+00 -0.215168D+01  0.309770D+01  0.241693D+01  0.291317D+01
               261           262           263           264           265 
      1   0.241693D+01  0.428567D+01 -0.349253D+01  0.117916D+01 -0.446515D+01
      2   0.291317D+01 -0.349253D+01  0.352854D+01 -0.816279D+00  0.506878D+01
      3   0.254278D+01  0.117916D+01 -0.816279D+00  0.100366D+01 -0.114997D+01
               266           267           268           269           270 
      1   0.506878D+01 -0.114997D+01 -0.103977D+01  0.102247D+01  0.506579D+00
      2  -0.696367D+01  0.141942D+01  0.102247D+01 -0.112534D+01 -0.525180D+00
      3   0.141942D+01 -0.149643D+01  0.506579D+00 -0.525180D+00  0.500518D+00
               271           272           273           274           275 
      1  -0.138967D+01  0.210817D+01  0.855649D-01  0.193266D+01 -0.153678D+01
      2   0.210817D+01 -0.360243D+01  0.300431D+00 -0.153678D+01  0.660307D+01
      3   0.855649D-01  0.300431D+00 -0.769162D+00 -0.612363D-01 -0.352099D-01
               276           277           278           279           280 
      1  -0.612363D-01  0.854859D+00 -0.382714D-01 -0.431336D+00  0.382540D+00
      2  -0.352099D-01 -0.382714D-01  0.162095D+01  0.479681D+00  0.212430D+00
      3   0.652286D+00 -0.431336D+00  0.479681D+00 -0.209708D-01 -0.771973D+00
               281           282           283           284           285 
      1   0.212430D+00 -0.771973D+00 -0.739745D+00 -0.515538D+00  0.902155D-01
      2  -0.493793D+00  0.102489D+00 -0.515538D+00 -0.748653D+00 -0.243412D+00
      3   0.102489D+00 -0.791839D+00  0.902155D-01 -0.243412D+00 -0.131260D+01
               286           287           288           289           290 
      1  -0.168125D+01 -0.370563D+00  0.296556D-01  0.130190D+02  0.561216D+01
      2  -0.370563D+00 -0.144131D+01  0.582400D-01  0.561216D+01  0.362559D+01
      3   0.296556D-01  0.582400D-01 -0.620784D+01 -0.176438D+01 -0.106942D+01
               291           292           293           294           295 
      1  -0.176438D+01  0.352693D+01  0.265868D+01 -0.502329D+00  0.121525D+00
      2  -0.106942D+01  0.265868D+01  0.257648D+01 -0.356249D+00  0.668200D-01
      3   0.130306D+01 -0.502329D+00 -0.356249D+00  0.173985D+00  0.104549D+01
               296           297 
      1   0.668200D-01  0.104549D+01
      2   0.435092D+00  0.403018D+00
      3   0.403018D+00 -0.510383D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.262821D+01  0.913437D+00 -0.287786D+01  0.593632D+01  0.103407D+01
      2  -0.171500D+02  0.185364D+01  0.840276D+01  0.421475D+01 -0.679396D+00
      3  -0.206331D+01 -0.363281D+01 -0.405862D+01  0.136027D+02 -0.247344D+00
                 6             7             8             9            10 
      1  -0.282616D+01 -0.562062D+01  0.255669D+01  0.566684D+00 -0.602542D+01
      2  -0.790289D+00  0.581578D+01 -0.115377D+01 -0.480903D+01  0.204765D+02
      3  -0.345053D+01 -0.278367D+01  0.966940D+00  0.494057D+01  0.115296D+01
                11            12            13            14            15 
      1   0.511222D+00  0.171020D+01  0.947936D+00 -0.525078D+01 -0.779031D+01
      2   0.183011D+01 -0.340103D+01 -0.409226D+00  0.171856D+01 -0.193606D+01
      3   0.159044D+01  0.872195D+00  0.134261D+02 -0.383345D+00 -0.113705D+01
                16            17            18            19            20 
      1   0.956444D+01 -0.138654D+00  0.440858D+01 -0.129258D+01 -0.110255D+01
      2  -0.250839D+02 -0.210066D+01  0.318524D+01  0.120821D+02  0.324897D+01
      3   0.706909D+01 -0.178949D+01 -0.388665D+01 -0.623054D+01 -0.138049D+01
                21            22            23            24            25 
      1   0.102003D+01 -0.761978D+01 -0.385978D+01 -0.207775D+01  0.948048D+00
      2   0.516277D+01  0.973553D+01  0.425591D+01  0.173995D+01  0.445942D+01
      3  -0.454866D+00  0.104923D+02  0.306190D+01  0.238872D+01 -0.708591D+01
                26            27            28            29            30 
      1   0.264115D+01 -0.200033D+01  0.282144D+01  0.296003D+01  0.413881D+01
      2   0.212944D+01  0.169117D+01 -0.174008D+02 -0.458228D+01 -0.122606D+01
      3  -0.355078D+00 -0.215374D+01 -0.212561D+01 -0.603231D+00  0.178473D+01
                31            32            33            34            35 
      1   0.723332D+01 -0.170652D+01 -0.829775D+01  0.686690D+01 -0.204356D+00
      2  -0.844106D+01 -0.564163D+01 -0.216970D+01 -0.269398D+02 -0.279639D+01
      3   0.117523D+02  0.512153D+01 -0.232907D+00  0.354198D+01  0.340037D+01
                36            37            38            39            40 
      1   0.384535D+01 -0.378898D+01  0.221331D+00 -0.117651D+01  0.427216D+01
      2   0.286677D+01  0.593629D+01  0.517573D+01  0.455039D+01  0.491112D+01
      3  -0.299099D+01 -0.151043D+01 -0.247264D+01 -0.338264D+01  0.936062D+01
                41            42            43            44            45 
      1   0.429298D+01 -0.818466D+00 -0.516056D+00  0.282992D+01  0.520611D-01
      2   0.656510D+00  0.400878D-01 -0.133628D+02 -0.307104D+01 -0.198696D+00
      3  -0.960391D+00 -0.387045D+01  0.288444D+01 -0.207743D+01  0.342212D+01
                46            47            48            49            50 
      1   0.498999D+01 -0.266268D+01 -0.846696D+00 -0.707050D+01 -0.968446D+00
      2  -0.777304D+01 -0.225058D+01  0.437280D+01 -0.495854D+01  0.589127D+00
      3  -0.438657D+01 -0.144700D+01 -0.286035D+00  0.967360D+01  0.228077D+01
                51            52            53            54            55 
      1  -0.206125D+01  0.479523D+01  0.388662D+01 -0.661025D+00  0.542715D+01
      2   0.265058D+01 -0.108714D+02 -0.130812D+01 -0.248610D+00 -0.102173D+02
      3   0.354637D+01 -0.703400D+01  0.101331D+01 -0.178376D+01 -0.123698D+02
                56            57            58            59            60 
      1  -0.150044D+01  0.119769D+01 -0.385137D+01  0.697845D+01 -0.133369D+01
      2   0.161995D+01 -0.322122D+01  0.471874D+01 -0.105651D+02 -0.207176D+00
      3   0.354028D+01 -0.282307D+01  0.278365D+02  0.162049D+02  0.775479D+01
                61            62            63            64            65 
      1   0.524632D+01  0.389164D+01 -0.593734D+01 -0.549052D+01  0.485661D+00
      2  -0.280315D+02 -0.357166D+01  0.175201D+02  0.468885D+01 -0.433363D+01
      3  -0.987623D+01  0.102894D+02 -0.207445D+01  0.268343D+02 -0.796866D+01
                66            67            68            69            70 
      1  -0.298330D+00  0.840093D+00  0.121944D+01 -0.162683D+01 -0.464436D+01
      2   0.181097D+02 -0.121097D+02  0.104292D+02  0.592102D+00  0.222383D+02
      3   0.643080D+01 -0.949529D+01 -0.195715D+02 -0.926282D+01  0.125550D+02
                71            72            73            74            75 
      1   0.504750D+01 -0.485272D+00 -0.138449D+00  0.322662D+01 -0.606320D+01
      2  -0.582152D+00 -0.321860D+02 -0.158744D+01  0.768861D+01 -0.104088D+02
      3  -0.118478D+02  0.273309D+01 -0.309205D+02 -0.918683D+01 -0.566175D+01
                76            77            78            79            80 
      1   0.404483D+01 -0.752417D+01  0.652110D+00 -0.834681D+01  0.661506D+01
      2   0.976882D+01 -0.106236D+02  0.439390D+01 -0.195423D+02  0.788643D+01
      3  -0.273875D+01  0.963128D+01  0.765190D+01 -0.674117D+01  0.115451D+02
                81            82            83            84            85 
      1   0.848264D+01  0.239739D+01 -0.128013D+01  0.361286D+01 -0.270318D+01
      2   0.182974D+02 -0.243327D+01  0.771228D+01 -0.186123D+02  0.101738D+02
      3  -0.218536D+01 -0.220182D+02  0.484563D+01 -0.101416D+02  0.238617D+02
                86            87            88            89            90 
      1  -0.194447D+00 -0.336729D+01  0.560682D+01  0.663897D-01 -0.194497D+01
      2  -0.202044D+02 -0.111179D+01 -0.360194D+02 -0.393266D+01  0.209999D+02
      3   0.301131D+02  0.228179D+02 -0.109683D+02  0.213741D+02 -0.216138D+01
                91            92            93            94            95 
      1  -0.225596D+01 -0.730998D+00  0.246330D+01  0.136372D+01 -0.703811D+00
      2   0.152213D+01  0.238140D+01  0.233639D+00  0.264419D+01  0.633053D+01
      3  -0.147974D+02  0.424034D+01 -0.186870D+01  0.367359D+02 -0.318838D+01
                96            97            98            99           100 
      1  -0.627575D+00  0.570120D+01  0.820542D+01  0.246433D+01  0.275850D+01
      2  -0.105412D+02 -0.168266D+02 -0.127245D+02 -0.108951D+02  0.145866D+01
      3  -0.449572D+01 -0.241698D+01 -0.843373D+01  0.957276D+01  0.278268D+02
               101           102           103           104           105 
      1   0.328135D+01 -0.671163D+01 -0.132220D+01  0.105333D+01 -0.346221D+01
      2  -0.833718D+00 -0.356294D+00 -0.755684D+00 -0.208994D+01  0.167339D+02
      3  -0.125410D+02  0.231224D+01 -0.215860D+01 -0.237444D+01 -0.850285D+00
               106           107           108           109           110 
      1  -0.391386D+01 -0.610329D+01  0.178157D+01 -0.223737D+01 -0.337853D+01
      2  -0.971294D+01  0.108270D+02  0.171369D+02 -0.106108D+02  0.952829D+00
      3   0.117148D+02 -0.816560D+01 -0.973236D+01 -0.292384D+01 -0.416792D+01
               111           112           113           114           115 
      1   0.329383D+01 -0.971822D+00  0.109836D+01 -0.329396D+01  0.388528D+00
      2   0.112101D+02 -0.373506D+00 -0.794694D+01 -0.108071D+02  0.792426D+01
      3  -0.599864D+00 -0.639122D+01  0.923447D+01  0.890847D+01 -0.124885D+02
               116           117           118           119           120 
      1   0.838905D+01 -0.614867D+01  0.292351D+01 -0.104126D+01  0.675476D+00
      2  -0.536738D+01 -0.364705D+02  0.547091D+01 -0.188608D+00  0.250801D+01
      3   0.148065D+02  0.783823D+01 -0.100892D+02  0.996790D+01 -0.297459D+01
               121           122           123           124           125 
      1  -0.149412D+01  0.261618D+01 -0.193791D+01 -0.313049D+01  0.732155D+01
      2   0.318263D+01  0.619095D+01 -0.256212D+01  0.923857D+00 -0.577173D+01
      3   0.121065D+02 -0.120328D+02 -0.355750D+01  0.388376D+01 -0.780604D+01
               126           127           128           129           130 
      1   0.491048D+01 -0.490039D+00  0.126635D+01 -0.408332D+00 -0.875182D+00
      2   0.185494D+02 -0.416197D+01 -0.644951D+00 -0.391961D+00 -0.194399D+01
      3   0.687433D+01  0.240186D+01 -0.214182D+00  0.631010D+00  0.324994D+01
               131           132           133           134           135 
      1   0.337135D+00 -0.331718D+01 -0.969179D+00  0.224747D+01 -0.251178D+01
      2   0.184028D+00  0.550144D+00 -0.319173D+01  0.420597D+00  0.213527D+01
      3  -0.101371D+01  0.114943D+00  0.189808D+01 -0.170016D+01 -0.338520D+00
               136           137           138           139           140 
      1  -0.130132D+01 -0.178737D+01  0.178831D+01 -0.328547D+00  0.123415D+00
      2   0.658836D+01 -0.253862D+00 -0.892395D+00  0.940319D+00  0.223844D+00
      3  -0.298684D+01 -0.933858D+00  0.129624D+01  0.523874D+00  0.673630D+00
               141           142           143           144           145 
      1  -0.165084D+01  0.776670D+00  0.300590D+01 -0.108977D+01  0.147260D+01
      2  -0.896951D+00 -0.482681D+01  0.215607D+00 -0.126306D+01 -0.468219D+01
      3  -0.259298D+00  0.173162D+01  0.166286D+01 -0.103871D+01  0.731833D+00
               146           147           148           149           150 
      1   0.241271D+01  0.618068D+00  0.273564D+00  0.129435D+01 -0.154411D+01
      2  -0.152591D+01 -0.979435D+00 -0.283013D+01 -0.687314D+00 -0.450082D+00
      3  -0.786990D+00  0.289441D-01  0.187095D+01 -0.630866D+00 -0.222352D+00
               151           152           153           154           155 
      1   0.691805D+00  0.437806D+01  0.361529D+00  0.138348D+00 -0.199154D+01
      2  -0.391776D+01 -0.514300D+00  0.670432D+00  0.619112D+01 -0.475550D+00
      3   0.603611D+00 -0.225234D+01 -0.964225D+00 -0.115294D+01 -0.131147D+01
               156           157           158           159           160 
      1   0.629339D+00  0.286301D+00  0.539834D+00 -0.109418D+01 -0.136122D+01
      2  -0.898499D+00  0.323012D+00  0.210920D-01 -0.100957D+01 -0.519373D+01
      3   0.520330D+00  0.170664D+01  0.427107D+00  0.172314D+00 -0.514678D-01
               161           162           163           164           165 
      1   0.386559D+01  0.133482D+01  0.175563D+01 -0.330104D+00 -0.196799D+01
      2   0.383553D+00 -0.966713D+00 -0.469721D+01 -0.208635D+01  0.689086D+01
      3   0.187195D+01 -0.517652D+00  0.270011D+01 -0.324364D+01  0.106824D+00
               166           167           168           169           170 
      1   0.844823D+00  0.196765D+00 -0.100968D+01 -0.208210D+01  0.154096D+01
      2  -0.209813D+01 -0.141201D+01 -0.169332D+00  0.150397D+01  0.424269D+01
      3  -0.124452D+01 -0.209067D+01  0.148664D+01 -0.153188D+01  0.367154D+01
               171           172           173           174           175 
      1   0.718989D+01 -0.118210D+01 -0.274203D+00 -0.948926D+00 -0.150991D+01
      2  -0.182337D+02  0.418760D+01  0.697780D+00  0.254587D+01  0.305804D+01
      3  -0.123989D+01 -0.160579D+01 -0.307875D+01  0.421250D+00 -0.272634D+01
               176           177           178           179           180 
      1  -0.490073D+01 -0.419861D+01 -0.202765D+01 -0.189481D+01 -0.139269D+01
      2   0.658859D+01  0.342433D+01  0.456280D+01  0.483449D+01  0.108652D+01
      3  -0.242038D+02 -0.222110D+01  0.161243D+01 -0.756531D+01 -0.239027D+01
               181           182           183           184           185 
      1   0.190977D+01 -0.125918D+01  0.889773D-01 -0.351618D+00 -0.628818D+00
      2   0.104409D+02  0.293469D+00 -0.705168D+01 -0.511007D+00  0.295105D+01
      3  -0.343556D+01  0.123456D+01 -0.685523D+00  0.324726D+01  0.235345D+01
               186           187           188           189           190 
      1  -0.781801D+00 -0.317898D+00  0.318880D+01  0.414857D+00 -0.283761D+01
      2  -0.371228D+00 -0.112516D+02 -0.107492D+00  0.297286D+02 -0.513801D+01
      3  -0.238041D+01 -0.782601D+00 -0.334470D+01  0.182699D+00  0.260795D+01
               191           192           193           194           195 
      1  -0.281913D+00  0.398441D+01  0.936506D-01 -0.104603D+01 -0.173695D+01
      2   0.122833D+01  0.829917D+01 -0.268737D+00 -0.198850D+01 -0.502842D+00
      3  -0.340319D+01  0.594345D+00  0.220055D-01  0.745571D+00  0.192407D+01
               196           197           198           199           200 
      1   0.435110D+01  0.480275D+00 -0.123045D+02  0.284229D+01 -0.161057D+01
      2   0.519127D+01 -0.593938D+01 -0.249062D+02  0.624426D+01 -0.482701D+01
      3   0.162449D+01  0.716949D+01  0.325800D+01  0.662327D+01 -0.970741D+01
               201           202           203           204           205 
      1   0.437473D+01 -0.326732D+01  0.295749D+01 -0.438222D+01  0.414387D+01
      2   0.773567D+01 -0.494233D+01  0.794880D+01 -0.673649D+01  0.743101D+01
      3   0.204340D+01 -0.459867D+01  0.141175D+02 -0.512357D+01  0.309585D+01
               206           207           208           209           210 
      1  -0.178528D+01  0.389932D+01 -0.200518D+01 -0.261960D+00 -0.215644D+01
      2  -0.804530D+01  0.742735D+01 -0.279048D+01 -0.940858D+00 -0.638776D+00
      3  -0.108577D+02  0.481564D+01  0.275049D+02  0.126901D+02  0.145391D+01
               211           212           213           214           215 
      1  -0.828770D+00  0.446132D+00 -0.192407D+01 -0.182482D+01  0.193931D+00
      2  -0.112556D+01  0.390960D+00 -0.923944D+00 -0.360716D+01 -0.218701D+01
      3   0.124070D+02  0.955903D+01 -0.268452D+00  0.168881D+01 -0.132366D+01
               216           217           218           219           220 
      1  -0.113902D+01  0.142214D+01 -0.125201D+00 -0.191681D+01  0.666743D+00
      2  -0.156233D+01 -0.113066D+02 -0.223771D+01  0.134242D+02 -0.164508D+01
      3   0.309780D+01  0.145115D+01 -0.427465D+01  0.747203D+00 -0.410360D+01
               221           222           223           224           225 
      1   0.489326D+00 -0.118473D+01 -0.237111D+01  0.171846D+01  0.416850D+01
      2  -0.252739D+01  0.131393D+01  0.176383D+02  0.385277D+01 -0.326258D+02
      3  -0.360784D+01  0.173256D+01  0.179167D+01  0.659664D+01 -0.894843D+00
               226           227           228           229           230 
      1   0.419320D+00  0.274656D+00 -0.368812D+00  0.822616D+00  0.363269D+01
      2   0.229847D+01 -0.295310D+00  0.243772D+01  0.186543D+01  0.132487D+02
      3  -0.443885D+01 -0.249853D+01 -0.449915D-01 -0.881392D+01 -0.417643D+02
               231           232           233           234           235 
      1  -0.261676D+01 -0.555068D+00  0.155850D+01 -0.653013D+00 -0.294375D+01
      2   0.103958D+02  0.512663D+01  0.917427D+01  0.653797D+01  0.101559D+02
      3  -0.134787D+02 -0.203141D+01 -0.147108D+02 -0.820988D+01  0.144157D+02
               236           237           238           239           240 
      1   0.226984D+01 -0.134366D+01  0.231046D+01 -0.275358D+01  0.701847D+00
      2  -0.412922D+01  0.125818D+02 -0.760982D+01  0.726267D+01 -0.905749D+01
      3  -0.109673D+02  0.706737D+01 -0.134229D+02  0.112357D+02 -0.947437D+01
               241           242           243           244           245 
      1  -0.237553D+01  0.330872D+01 -0.144898D+01 -0.188932D+01 -0.948683D-01
      2   0.149772D+02 -0.479067D+01  0.127989D+02  0.602575D+01  0.147849D+01
      3   0.875447D+01 -0.109789D+02  0.748977D+01 -0.114711D+01 -0.282448D+01
               246           247           248           249           250 
      1  -0.123702D+01 -0.677078D+00 -0.124027D+00 -0.255094D+01 -0.121423D+01
      2   0.346797D+01  0.146033D+01  0.317282D+01  0.585113D+01  0.444176D+00
      3   0.146909D+00 -0.206382D+01 -0.410780D+01 -0.298882D+01  0.468012D-01
               251           252           253           254           255 
      1   0.134773D+01 -0.520377D+01  0.343269D+01 -0.352653D+01 -0.449219D+01
      2   0.519467D+01  0.161545D+02 -0.573201D+01 -0.505188D+01  0.743577D+01
      3  -0.436313D+01 -0.421513D+01  0.251771D+01 -0.208069D+02  0.373150D+00
               256           257           258           259           260 
      1  -0.481488D+00  0.756497D+01 -0.698364D+01 -0.456238D+01 -0.136009D+01
      2  -0.751488D+01 -0.629946D+01  0.108018D+02  0.845241D+01  0.112741D+02
      3  -0.174652D+02  0.696116D+01  0.711234D+01  0.172014D+01  0.112959D+02
               261           262           263           264           265 
      1  -0.112653D+02 -0.224690D+01  0.266754D+01  0.130559D+01  0.383976D+01
      2   0.113077D+02  0.112741D+01 -0.573107D+00  0.391542D+01 -0.779978D+00
      3  -0.687843D+01  0.908584D+01 -0.117958D+02  0.313391D+01 -0.147794D+02
               266           267           268           269           270 
      1  -0.521914D+01 -0.166589D+01  0.259419D+00 -0.175343D+00 -0.107453D+01
      2   0.157475D+01 -0.594274D+01  0.138266D+01 -0.193255D+01  0.773913D+00
      3   0.254904D+02 -0.492011D+01 -0.329653D+01  0.437912D+01  0.170515D+01
               271           272           273           274           275 
      1  -0.263176D+01  0.270426D+01  0.332354D+01  0.194764D+01 -0.609298D+01
      2  -0.165490D+01  0.260560D+01 -0.138869D+01  0.189511D+01 -0.223074D+01
      3  -0.120829D+02  0.141500D+02 -0.263328D-01  0.114129D+02 -0.233152D+02
               276           277           278           279           280 
      1  -0.343679D+01  0.206428D+01 -0.994668D+00 -0.906071D+00  0.251693D+01
      2   0.912315D+00 -0.210766D+01  0.855992D+00 -0.511636D+00 -0.407141D+01
      3  -0.358742D+00  0.244238D+01 -0.484383D+01 -0.260218D+01 -0.480815D+00
               281           282           283           284           285 
      1   0.135203D+01  0.201697D+01  0.127825D+01  0.345819D+01  0.272878D+01
      2  -0.371431D+00 -0.321138D+01 -0.242945D+01 -0.174605D+01 -0.469930D+01
      3   0.146428D+01 -0.137842D+01  0.174697D+01  0.152018D+01  0.718536D+00
               286           287           288           289           290 
      1   0.121643D+01  0.485251D+01  0.144323D+02 -0.109868D+01 -0.130700D+01
      2  -0.425404D+01 -0.743605D+00 -0.202096D+02  0.434559D+01  0.319957D+00
      3  -0.160900D+01  0.350796D+01 -0.421124D+00  0.625156D+01 -0.504248D+01
               291           292           293           294           295 
      1  -0.342770D+01 -0.148264D+01 -0.184506D+01 -0.126494D+01 -0.212753D+01
      2   0.617559D+01  0.185496D+01  0.904314D+00  0.148549D+01  0.226980D+01
      3   0.934717D+00 -0.634239D+00 -0.458183D+01  0.511898D-01  0.382166D-01
               296           297 
      1   0.852012D-01  0.134156D+01
      2   0.691233D+00 -0.160875D+01
      3  -0.113553D+01  0.749400D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.620389D+01 -0.429173D+01 -0.191609D+02  0.123700D+02 -0.123406D+02
      2   0.590768D+00  0.456634D+00  0.336790D+01 -0.178358D+01  0.199396D+02
      3   0.561312D+01  0.383509D+01  0.157930D+02 -0.105864D+02 -0.759902D+01
      4  -0.694379D+01 -0.276166D+01 -0.821987D+01  0.249650D+01 -0.124052D+01
      5  -0.174493D+02 -0.714439D+01  0.594728D+00 -0.760728D+01 -0.232576D+01
      6  -0.101747D+02 -0.386643D+00 -0.893122D+00 -0.350890D+01  0.982049D+00
                 6             7             8             9            10 
      1  -0.442131D+01  0.314993D+02  0.110833D+02  0.139701D+02  0.586633D+02
      2   0.842071D+01 -0.896258D+01 -0.114571D+01 -0.623955D+01 -0.225037D+02
      3  -0.399939D+01 -0.225367D+02 -0.993760D+01 -0.773054D+01 -0.361596D+02
      4  -0.154609D+01  0.572173D+01  0.118962D+01 -0.445862D+01  0.754681D+01
      5  -0.686907D+01  0.136846D+02 -0.393599D+01 -0.390047D+01  0.837772D+01
      6   0.139621D+01 -0.613535D+01 -0.386092D+01 -0.113866D+02  0.164253D+01
                11            12            13            14            15 
      1   0.511897D+01  0.432458D+01  0.184451D+01 -0.275130D+01 -0.577137D+01
      2  -0.201574D+00  0.318825D+01  0.415476D+01  0.798159D+01  0.301635D+01
      3  -0.491739D+01 -0.751283D+01 -0.599927D+01 -0.523030D+01  0.275502D+01
      4   0.517443D+00  0.404513D+01  0.153996D+02  0.441107D+01  0.602580D+00
      5   0.527579D+01  0.680750D+01 -0.816362D+01  0.105686D+01  0.210462D+01
      6   0.878604D+00  0.249947D+01 -0.746151D+01 -0.538317D+01  0.973283D+01
                16            17            18            19            20 
      1   0.998088D+01 -0.663487D+01 -0.145971D+02  0.501136D+01  0.119197D+02
      2  -0.448942D+01 -0.488577D+01  0.382074D+00  0.443882D+01 -0.102219D+02
      3  -0.549145D+01  0.115206D+02  0.142151D+02 -0.945018D+01 -0.169782D+01
      4  -0.117060D+02  0.713475D+00 -0.370697D+00  0.177680D+01  0.548425D+01
      5  -0.117139D+02  0.349709D+00 -0.312917D+01  0.180648D+02  0.290793D+01
      6  -0.217612D+01  0.969552D+00  0.576597D+01  0.731188D+01 -0.212523D+01
                21            22            23            24            25 
      1   0.205706D+02 -0.110314D+02 -0.346545D+01  0.152646D+02 -0.233474D+02
      2  -0.945082D+01 -0.167421D+01  0.620695D+01  0.258935D+00  0.416130D+01
      3  -0.111198D+02  0.127056D+02 -0.274150D+01 -0.155236D+02  0.191861D+02
      4   0.421959D+01  0.638722D+01 -0.714584D+01 -0.697639D+00 -0.257516D+01
      5  -0.534053D+01  0.942668D+01  0.134113D+01  0.139617D+00  0.103718D+02
      6  -0.487329D+01  0.423996D+01  0.114971D+00  0.393680D+01  0.136042D+02
                26            27            28            29            30 
      1   0.380308D+01  0.503827D+01  0.160879D+02  0.226381D+01 -0.472582D+01
      2  -0.472805D+00  0.125670D+01 -0.162141D+01  0.114012D+01 -0.918895D+00
      3  -0.333027D+01 -0.629496D+01 -0.144664D+02 -0.340393D+01  0.564471D+01
      4  -0.982445D+00  0.753138D+01  0.746152D+01  0.501221D+01  0.807221D+00
      5   0.666410D+01  0.588868D+01 -0.390917D+01  0.751549D+00  0.810569D+01
      6   0.684132D+01 -0.805265D+01 -0.862132D+01  0.153134D+01  0.350901D+01
                31            32            33            34            35 
      1  -0.459409D+01 -0.114405D+01 -0.764573D+01  0.253814D+01 -0.491636D+01
      2   0.579720D+01  0.538603D+01  0.252029D+00 -0.619434D+01 -0.813789D+01
      3  -0.120312D+01 -0.424198D+01  0.739370D+01  0.365620D+01  0.130543D+02
      4   0.188255D+02  0.265725D+00 -0.278118D+01 -0.117210D+02 -0.757661D+01
      5  -0.141930D+02 -0.231838D+01  0.255346D+01 -0.129599D+02  0.573526D+00
      6  -0.250563D+01 -0.381124D+01  0.829831D+01 -0.604864D+01  0.280232D+00
                36            37            38            39            40 
      1  -0.188554D+02  0.853843D+01 -0.134377D+01 -0.242799D+02  0.418731D+01
      2   0.395803D+01 -0.878177D+01 -0.162852D+01  0.216409D+01  0.512523D+01
      3   0.148973D+02  0.243342D+00  0.297229D+01  0.221158D+02 -0.931254D+01
      4   0.132304D+01 -0.874643D+01 -0.561104D+01 -0.894235D+01  0.112893D+02
      5   0.116269D+01 -0.510691D+01 -0.617430D+01 -0.512077D+01 -0.490299D+01
      6   0.692211D+01 -0.538662D+01  0.170112D+01 -0.627524D+01 -0.341454D+01
                41            42            43            44            45 
      1  -0.104408D+02  0.399757D+00  0.252514D+02  0.808253D+01  0.774038D+01
      2   0.144389D+02  0.774488D+01 -0.210177D+01  0.423418D+01 -0.543745D+01
      3  -0.399802D+01 -0.814464D+01 -0.231496D+02 -0.123167D+02 -0.230294D+01
      4   0.963086D+00 -0.212764D+01 -0.110410D+01  0.561568D+01 -0.520038D+01
      5  -0.147053D+01 -0.110396D+02  0.613590D+01 -0.606906D+01 -0.353115D+01
      6   0.384106D+01  0.582477D+01 -0.974167D+01 -0.305159D+01 -0.132830D+02
                46            47            48            49            50 
      1  -0.326113D+01  0.766223D+01  0.205339D+02 -0.265395D+02 -0.506030D+01
      2   0.833283D+01 -0.414839D+01 -0.801571D+01  0.900003D+01  0.401638D+01
      3  -0.507170D+01 -0.351384D+01 -0.125182D+02  0.175395D+02  0.104392D+01
      4  -0.223042D+01  0.819843D+01  0.350261D+01  0.103408D+02 -0.367115D+01
      5   0.937654D+01  0.328388D+00 -0.101824D+02  0.264912D+01 -0.289164D+01
      6   0.316124D+01 -0.556922D+01 -0.676366D+01  0.649610D+00 -0.105698D+01
                51            52            53            54            55 
      1   0.192552D+02 -0.338984D+02  0.327162D+01 -0.324122D+01 -0.585684D+02
      2   0.137567D+01  0.486097D+01  0.835014D+00  0.442969D+01  0.241561D+02
      3  -0.206309D+02  0.290374D+02 -0.410663D+01 -0.118847D+01  0.344124D+02
      4  -0.763182D+00 -0.602192D+01 -0.256077D+01  0.508006D+01  0.697096D+01
      5   0.146645D+01 -0.126000D+01  0.483047D+01  0.857109D+01 -0.841165D+01
      6   0.101046D+02  0.960329D+01  0.787462D+01 -0.109886D+02 -0.211243D+01
                56            57            58            59            60 
      1   0.874202D+01 -0.579177D+01  0.512781D+02 -0.160234D+01  0.136647D+02
      2  -0.532158D+01  0.330102D-01 -0.369076D+02 -0.175073D+02 -0.116829D+02
      3  -0.342044D+01  0.575876D+01 -0.143705D+02  0.191097D+02 -0.198184D+01
      4  -0.121627D+02  0.502415D+01 -0.288695D+02 -0.415924D+02 -0.117820D+02
      5   0.452973D+01 -0.163174D+02  0.130816D+02 -0.119409D+02  0.207076D+00
      6   0.100824D+01 -0.368835D+01 -0.486512D+00 -0.691700D+01 -0.911287D+00
                61            62            63            64            65 
      1  -0.413908D+02  0.105009D+02 -0.158904D+02 -0.155326D+02 -0.415602D+02
      2   0.103994D+02 -0.118903D+02  0.133366D+02  0.135060D+02  0.204418D+02
      3   0.309914D+02  0.138943D+01  0.255383D+01  0.202662D+01  0.211183D+02
      4   0.849791D+01 -0.198142D+02 -0.821001D+01 -0.466125D+02  0.650566D+01
      5  -0.351870D+02 -0.777377D+01  0.362768D+02 -0.649349D+01 -0.130103D+02
      6  -0.686698D+01 -0.401940D+01  0.928280D+01 -0.375342D+01 -0.305270D+01
                66            67            68            69            70 
      1  -0.104009D+02 -0.917215D+02  0.134325D+02 -0.156599D+02  0.154748D+02
      2   0.107273D+01  0.488115D+02 -0.830989D+01  0.680317D+01 -0.697644D+01
      3   0.932817D+01  0.429101D+02 -0.512262D+01  0.885678D+01 -0.849837D+01
      4  -0.117107D+02  0.152189D+02  0.420510D+02  0.179142D+02 -0.146174D+02
      5   0.253022D+02 -0.252338D+02  0.189051D+02 -0.187033D+01  0.503998D+02
      6  -0.197005D+01  0.318197D+01 -0.102537D+01 -0.292179D+00 -0.195912D+00
                71            72            73            74            75 
      1  -0.998522D+01  0.491684D+02  0.388729D+02  0.385412D+02 -0.223835D+01
      2   0.267745D+01 -0.149290D+02 -0.314363D+02 -0.168707D+02 -0.434648D+01
      3   0.730778D+01 -0.342394D+02 -0.743668D+01 -0.216705D+02  0.658483D+01
      4   0.220160D+02 -0.106691D+01  0.348555D+02 -0.192274D+02  0.136302D+02
      5  -0.497379D-01 -0.494514D+02 -0.443459D+01  0.139550D+02 -0.250206D+02
      6   0.616129D+01  0.223424D+00  0.799317D+01 -0.441430D+01  0.125338D+02
                76            77            78            79            80 
      1   0.431920D+02 -0.184639D+02  0.664370D+01 -0.742430D+01  0.902799D+01
      2  -0.188745D+02  0.130044D+02  0.387130D+01 -0.585220D+01  0.368481D+01
      3  -0.243175D+02  0.545942D+01 -0.105150D+02  0.132765D+02 -0.127128D+02
      4  -0.255712D+02 -0.136146D+02 -0.251324D+02  0.161142D+02 -0.346059D+02
      5   0.162729D+02 -0.237928D+02  0.818315D+01 -0.378932D+02  0.167529D+02
      6  -0.861172D+01  0.131824D+02 -0.357622D+01  0.143919D+02 -0.830662D+01
                81            82            83            84            85 
      1  -0.283677D+02  0.278506D+02  0.465725D+02  0.143391D+01  0.707471D+02
      2   0.169455D+02 -0.813741D+01 -0.265563D+02  0.274974D+01 -0.416238D+02
      3   0.114222D+02 -0.197132D+02 -0.200161D+02 -0.418365D+01 -0.291233D+02
      4   0.238281D+02  0.505451D+02 -0.491548D+01  0.203996D+02 -0.237099D+02
      5   0.394563D+02 -0.250274D+01  0.224235D+02 -0.405600D+02  0.303053D+02
      6  -0.122986D+02  0.650210D+01 -0.825272D+00 -0.807692D+00 -0.601176D+01
                86            87            88            89            90 
      1  -0.980019D+01  0.292282D+02 -0.738015D+01  0.244481D+02 -0.588228D+02
      2   0.167669D+00 -0.202327D+02  0.694371D+01 -0.173700D+02  0.296702D+02
      3   0.963252D+01 -0.899544D+01  0.436446D+00 -0.707816D+01  0.291526D+02
      4  -0.530103D+02 -0.376194D+02  0.224397D+02 -0.348620D+02 -0.400605D+01
      5  -0.404795D+02  0.402649D+01 -0.661700D+02 -0.248826D+01  0.348984D+02
      6  -0.128700D+02 -0.772518D+01 -0.239429D+01 -0.793964D+01  0.540732D+01
                91            92            93            94            95 
      1   0.707714D+00  0.197062D+02 -0.839570D+01  0.335445D+02 -0.164558D+02
      2  -0.775380D+00 -0.137321D+02  0.537757D+01 -0.202447D+02  0.469031D+01
      3   0.676657D-01 -0.597412D+01  0.301813D+01 -0.132998D+02  0.117655D+02
      4   0.164305D+02 -0.136727D+02  0.186504D+01 -0.478759D+02 -0.747726D+00
      5  -0.631599D+01  0.199535D+01 -0.680076D+01  0.102398D+02  0.621931D+01
      6   0.144384D+01  0.161102D+01 -0.615809D+01  0.658192D+01  0.882259D+01
                96            97            98            99           100 
      1  -0.192844D+01 -0.172700D+00 -0.443623D+01  0.225776D+01 -0.445680D+01
      2   0.375383D+01  0.781603D+01  0.124744D+02 -0.317757D+01  0.578534D+01
      3  -0.182539D+01 -0.764333D+01 -0.803814D+01  0.919809D+00 -0.132854D+01
      4   0.652258D+01  0.115957D+02  0.187282D+02 -0.259233D+02  0.153975D+01
      5  -0.199095D+02 -0.135668D+02 -0.249136D+02 -0.228067D+02  0.159886D+02
      6  -0.113207D+02 -0.142333D+02 -0.132808D+02 -0.775299D+01 -0.120486D+01
               101           102           103           104           105 
      1  -0.660797D+01  0.102302D+02  0.658077D+01  0.209524D+02 -0.314401D+01
      2   0.372140D+01 -0.705626D+01 -0.101720D+02 -0.662738D+01  0.265355D+01
      3   0.288657D+01 -0.317389D+01  0.359128D+01 -0.143250D+02  0.490455D+00
      4   0.119374D+02 -0.197790D+01  0.233549D+02 -0.148758D+02 -0.147630D+00
      5  -0.144947D+01 -0.158892D+02 -0.296632D+01  0.134252D+00  0.309175D+02
      6   0.182436D+00  0.856292D+01 -0.234763D+01  0.200119D+01 -0.670376D+01
               106           107           108           109           110 
      1   0.354489D+02 -0.944904D+01 -0.185374D+02  0.461696D+02 -0.892155D+01
      2  -0.154854D+02 -0.106418D+01  0.158366D+02 -0.267644D+02  0.416049D+01
      3  -0.199636D+02  0.105132D+02  0.270077D+01 -0.194052D+02  0.476106D+01
      4  -0.205773D+02  0.158243D+02  0.230547D+02 -0.154533D+02  0.109944D+02
      5  -0.379015D+02  0.231791D+02  0.278460D+02 -0.384294D+02  0.350370D+01
      6   0.123510D+02 -0.131595D+02 -0.512592D+01  0.754104D+01 -0.328828D+01
               111           112           113           114           115 
      1  -0.276334D+02 -0.157960D+02  0.613400D+00  0.175160D+00 -0.567516D+02
      2   0.184167D+02  0.529359D+01  0.375824D+01 -0.770390D+00  0.318387D+02
      3   0.921674D+01  0.105024D+02 -0.437164D+01  0.595230D+00  0.249129D+02
      4   0.606681D+01  0.185507D+02 -0.152307D+02 -0.179264D+02  0.234483D+02
      5   0.304009D+02  0.101023D+02 -0.185149D+02 -0.206868D+02  0.489479D+02
      6  -0.585590D+01 -0.388373D+01  0.897860D+01  0.142274D+02 -0.794469D+01
               116           117           118           119           120 
      1   0.651330D+01  0.150294D+02  0.302497D+01  0.101747D+02  0.142229D+02
      2  -0.193530D+01 -0.244990D+02 -0.111473D+02  0.341873D+01 -0.104214D+02
      3  -0.457800D+01  0.946960D+01  0.812229D+01 -0.135934D+02 -0.380150D+01
      4  -0.295743D+02 -0.152795D+02  0.189528D+02 -0.258892D+02  0.393638D+00
      5  -0.149072D+02 -0.760174D+02  0.127339D+02  0.389241D+01  0.103713D+02
      6   0.149590D+02  0.196780D+02 -0.521847D+00 -0.199451D+01 -0.131458D+01
               121           122           123           124           125 
      1   0.188828D+02 -0.319417D+02  0.855985D+01  0.283857D+02  0.172769D+01
      2   0.169730D+01  0.841004D+01 -0.517994D+01 -0.167060D+02 -0.256823D+01
      3  -0.205801D+02  0.235317D+02 -0.337991D+01 -0.116796D+02  0.840537D+00
      4  -0.324364D+02  0.378597D+02  0.521263D+01 -0.145801D+02  0.170683D+02
      5   0.281026D+01  0.472927D+01 -0.562041D+01  0.305761D+02 -0.182771D+02
      6  -0.160772D+01 -0.445969D+01  0.855254D+01 -0.857725D+01  0.144403D+02
               126           127           128           129           130 
      1   0.480344D+01  0.277684D+00 -0.295052D+01 -0.199599D+01 -0.787561D+00
      2  -0.137662D+02 -0.948516D+00  0.253083D+01  0.888142D-01  0.546129D-01
      3   0.896280D+01  0.670831D+00  0.419690D+00  0.190717D+01  0.732948D+00
      4  -0.154039D+02  0.432408D+01  0.458228D+01  0.447710D+01  0.412382D+01
      5   0.429830D+02  0.768189D+01  0.484367D+01  0.863282D+01  0.621633D+01
      6  -0.149229D+02  0.541282D+01  0.451018D+01  0.619565D+01  0.516768D+01
               131           132           133           134           135 
      1  -0.757681D+01 -0.868511D+01 -0.387544D+01 -0.116664D+02 -0.198267D+02
      2   0.428901D+01  0.115665D+01 -0.116058D+01  0.475503D+01 -0.221725D-01
      3   0.328780D+01  0.752846D+01  0.503602D+01  0.691132D+01  0.198489D+02
      4   0.537235D+01  0.420062D+01  0.427163D+01  0.427544D+01  0.494274D+01
      5   0.581615D+01  0.836563D+01  0.973377D+01  0.666058D+01  0.144167D+02
      6   0.904541D+01  0.104292D+02  0.679687D+01  0.128916D+02  0.179746D+02
               136           137           138           139           140 
      1   0.373950D+01 -0.685361D-01  0.199303D+01  0.132186D+01 -0.225561D+01
      2  -0.539872D+01  0.631408D+00  0.356379D+01  0.746669D+00  0.427934D+00
      3   0.165922D+01 -0.562872D+00 -0.555683D+01 -0.206853D+01  0.182767D+01
      4  -0.431475D+01  0.304291D+01  0.256017D+01  0.282328D+01 -0.166277D+01
      5  -0.951747D+01  0.142327D+01  0.921815D+01  0.253414D+01 -0.236017D+01
      6   0.101735D+01 -0.187553D+01 -0.122556D+01 -0.202992D+01  0.242247D+01
               141           142           143           144           145 
      1  -0.480156D+01  0.423782D+01 -0.376248D+01 -0.144964D+02 -0.309048D+01
      2  -0.813197D+00  0.390576D+01  0.438247D+00 -0.689679D+01 -0.230017D+01
      3   0.561476D+01 -0.814359D+01  0.332424D+01  0.213932D+02  0.539065D+01
      4  -0.233907D+01  0.471019D+01 -0.447455D+01 -0.628283D+01  0.462694D+01
      5  -0.244536D+01  0.112651D+02 -0.310414D+01 -0.154229D+02  0.102369D+02
      6   0.378779D+01 -0.364420D+01  0.548015D+01  0.720288D+01  0.626796D+01
               146           147           148           149           150 
      1  -0.361726D+01 -0.513872D+01 -0.395546D+01 -0.791395D+01 -0.126270D+02
      2   0.828174D+00 -0.204564D+01 -0.127627D+01  0.152363D+01 -0.158489D+01
      3   0.278908D+01  0.718437D+01  0.523173D+01  0.639031D+01  0.142119D+02
      4   0.444896D+01  0.423102D+01  0.313589D+01  0.359335D+01  0.342905D+01
      5   0.597468D+01  0.119054D+02  0.672114D+01  0.557776D+01  0.982000D+01
      6   0.524760D+01  0.700081D+01  0.474981D+01  0.843070D+01  0.108703D+02
               151           152           153           154           155 
      1  -0.810960D+01 -0.128847D+02 -0.269749D+02 -0.119732D+00 -0.602990D+00
      2  -0.253918D+01  0.106289D+01 -0.700202D+01 -0.860114D+01  0.121704D+01
      3   0.106488D+02  0.118218D+02  0.339770D+02  0.872088D+01 -0.614052D+00
      4   0.390906D+01  0.384816D+01  0.409024D+01 -0.364666D+01  0.308550D+01
      5   0.112078D+02  0.732326D+01  0.179555D+02 -0.160275D+02  0.196802D+01
      6   0.735364D+01  0.133249D+02  0.198301D+02  0.643794D+00 -0.242458D+01
               156           157           158           159           160 
      1   0.457056D+01  0.453415D+01 -0.241336D+01 -0.653805D+01  0.419015D+01
      2   0.892051D+01 -0.426351D+00 -0.360298D+00 -0.250685D+01  0.974586D+01
      3  -0.134911D+02 -0.410780D+01  0.277365D+01  0.904490D+01 -0.139360D+02
      4   0.303637D+01  0.836961D+00 -0.120766D+01 -0.293510D+01  0.496021D+01
      5   0.171514D+02  0.199655D+01 -0.287759D+01 -0.377259D+01  0.174950D+02
      6  -0.214427D+00 -0.189984D+01  0.231969D+01  0.374332D+01 -0.321368D+01
               161           162           163           164           165 
      1  -0.356191D+01 -0.211604D+02  0.150304D+02 -0.440615D+00 -0.757672D+01
      2  -0.118640D+01 -0.157636D+02 -0.112773D+02  0.457082D+00  0.621648D+01
      3   0.474831D+01  0.369240D+02 -0.375308D+01 -0.164670D-01  0.136023D+01
      4  -0.417810D+01 -0.626231D+01  0.353224D+01  0.720917D+01 -0.620117D+01
      5  -0.414786D+01 -0.256338D+02 -0.158275D+02 -0.554515D+01  0.182841D+02
      6   0.578009D+01  0.634173D+01 -0.367930D+01 -0.249450D+01  0.402759D+01
               166           167           168           169           170 
      1  -0.932402D+01 -0.141265D+01  0.115187D+01 -0.144906D+02  0.109624D+01
      2   0.520997D+01  0.195372D+01 -0.782274D+00  0.121972D+02  0.551220D+00
      3   0.411405D+01 -0.541068D+00 -0.369595D+00  0.229343D+01 -0.164746D+01
      4   0.542627D+01  0.602273D+01 -0.504370D+01 -0.869153D+01 -0.901721D+01
      5  -0.165405D+01 -0.549121D+01  0.237907D+00  0.221435D+02  0.112919D+02
      6  -0.220522D+01 -0.215125D+01  0.529130D+01  0.683323D+01  0.772116D+01
               171           172           173           174           175 
      1  -0.413706D+01  0.886241D+01  0.660388D+01  0.355612D+01  0.875174D+01
      2  -0.113373D+02  0.362093D+00 -0.135853D+01 -0.121720D+01  0.584068D+01
      3   0.154743D+02 -0.922450D+01 -0.524535D+01 -0.233891D+01 -0.145924D+02
      4   0.111930D+02  0.100162D+02  0.140258D+02  0.491208D+00  0.263353D+02
      5  -0.428366D+02  0.454548D+01 -0.112186D+00  0.407099D+01  0.158661D+01
      6  -0.144896D+02  0.151486D+01  0.313816D-01  0.630655D+00  0.142597D+01
               176           177           178           179           180 
      1  -0.167161D+02 -0.159126D+01  0.183992D+02 -0.333737D+01 -0.131078D+00
      2   0.386072D+02  0.423852D+01 -0.450178D+01  0.815167D+01  0.185619D+01
      3  -0.218911D+02 -0.264725D+01 -0.138974D+02 -0.481431D+01 -0.172512D+01
      4   0.547258D+02  0.627813D+01  0.787576D+01  0.169864D+02  0.833855D+01
      5   0.569728D+01  0.548536D+01  0.925560D+01  0.813608D+01  0.236819D+01
      6   0.301013D+01  0.547393D+01  0.343581D+01  0.756351D+01  0.270768D+01
               181           182           183           184           185 
      1  -0.125389D+02  0.501925D+01  0.131667D+02  0.110869D+02 -0.739001D+01
      2   0.195422D+01 -0.225591D+01 -0.232750D+01 -0.545707D+01  0.323007D+01
      3   0.105847D+02 -0.276334D+01 -0.108392D+02 -0.562982D+01  0.415994D+01
      4   0.601549D+01 -0.207791D+01  0.166891D+01  0.134935D+01 -0.493710D+01
      5   0.680484D+01  0.154884D+01 -0.579541D+01  0.138685D+01  0.306219D+01
      6  -0.416222D+00 -0.306863D+00  0.429750D+00 -0.145586D+01  0.121928D-01
               186           187           188           189           190 
      1   0.236564D+01  0.232529D+02  0.352775D+01 -0.295917D+02  0.121119D+02
      2  -0.108043D+01 -0.852445D+01 -0.205674D+01 -0.679813D+01 -0.642676D+01
      3  -0.128521D+01 -0.147285D+02 -0.147101D+01  0.363899D+02 -0.568519D+01
      4   0.338240D+01  0.266993D+01  0.693070D+01 -0.339580D-01 -0.114989D+02
      5  -0.800541D+00 -0.323682D+01  0.264287D+00  0.476545D+02 -0.156560D+02
      6   0.727238D+01  0.236328D+00  0.353873D+01 -0.128240D+01  0.393298D+01
               191           192           193           194           195 
      1  -0.600996D+01 -0.118719D+02 -0.915003D+00  0.153662D+01 -0.248772D+01
      2   0.126315D+01  0.851659D+01 -0.108394D+01 -0.100414D+00  0.256353D+01
      3   0.474681D+01  0.335535D+01  0.199894D+01 -0.143621D+01 -0.758086D-01
      4   0.110659D+02  0.614197D+01  0.729279D+01 -0.431926D+01 -0.539737D+01
      5   0.361455D+01  0.202662D+02 -0.559964D+00 -0.539469D+01 -0.182734D+01
      6  -0.162518D+01 -0.678132D+01 -0.164387D+01  0.168595D+01  0.616496D+01
               196           197           198           199           200 
      1  -0.182241D+02 -0.112847D+01  0.831941D+01  0.317696D+02 -0.203354D+02
      2   0.122184D+02  0.294108D+01 -0.143631D+02 -0.740767D+01  0.562669D+00
      3   0.600578D+01 -0.181261D+01  0.604372D+01 -0.243619D+02  0.197727D+02
      4   0.114615D+02 -0.152392D+02 -0.184755D+02 -0.395560D+02  0.366632D+02
      5   0.252404D+02 -0.142776D+02 -0.546667D+02  0.157740D+02 -0.107995D+02
      6  -0.903424D+01  0.887177D+01  0.208464D+02 -0.789056D+01  0.683010D+01
               201           202           203           204           205 
      1   0.107447D+02 -0.183619D+02  0.997578D+01 -0.371414D+01  0.192235D+02
      2  -0.268539D+01 -0.907946D+00  0.118886D+02 -0.355707D+01 -0.573998D+01
      3  -0.805934D+01  0.192698D+02 -0.218644D+02  0.727121D+01 -0.134836D+02
      4  -0.135342D+02  0.371466D+02 -0.451546D+02  0.183719D+02 -0.243911D+02
      5   0.154054D+02 -0.115321D+02  0.163304D+02 -0.121287D+02  0.209578D+02
      6  -0.768947D+01  0.787246D+01 -0.114212D+02  0.900827D+01 -0.103183D+02
               206           207           208           209           210 
      1  -0.651677D+01  0.944149D+01 -0.562204D+02 -0.246032D+02 -0.125510D+01
      2  -0.432990D+01 -0.387354D+01  0.329332D+02  0.211368D+02  0.100446D+01
      3   0.108467D+02 -0.556795D+01  0.232871D+02  0.346643D+01  0.250638D+00
      4   0.308368D+02 -0.202958D+02  0.431902D+01 -0.105499D+02 -0.187009D+01
      5  -0.172378D+02  0.161833D+02 -0.169483D+01 -0.270057D+01 -0.142787D+01
      6   0.118538D+02 -0.100320D+02 -0.171248D+01 -0.648401D+00  0.234877D+01
               211           212           213           214           215 
      1  -0.197595D+02 -0.186767D+02 -0.114548D+01 -0.181086D+01  0.232802D+00
      2   0.159060D+02  0.180817D+02  0.156402D-02  0.174236D+01 -0.538655D+00
      3   0.385351D+01  0.595085D+00  0.114391D+01  0.685011D-01  0.305854D+00
      4   0.405320D+00 -0.631694D+01  0.182598D+01 -0.314296D+00  0.330746D+01
      5  -0.136051D+01  0.114601D+01 -0.227953D+01  0.283201D+01 -0.421139D+01
      6   0.893152D+00 -0.606544D+00  0.334796D+01  0.126321D+01  0.442951D+01
               216           217           218           219           220 
      1  -0.343704D+01  0.401789D+02  0.137923D+01 -0.228006D+02 -0.502728D+01
      2   0.164104D+01 -0.216756D+02  0.141625D+00  0.109008D+02  0.405275D+01
      3   0.179600D+01 -0.185033D+02 -0.152086D+01  0.118997D+02  0.974531D+00
      4  -0.426931D+01  0.327692D+01  0.798316D+01 -0.558287D+01  0.129693D+02
      5  -0.406646D+01 -0.222113D+02 -0.483008D+01  0.263590D+02 -0.382444D+01
      6   0.112981D+01 -0.304086D+01 -0.315384D+00  0.283045D+01 -0.126081D+01
               221           222           223           224           225 
      1   0.775925D+01 -0.373101D+01 -0.547134D+02 -0.955245D+01  0.346987D+02
      2  -0.262289D+01  0.160643D+01  0.285049D+02  0.413186D+01 -0.214001D+02
      3  -0.513636D+01  0.212458D+01  0.262086D+02  0.542058D+01 -0.132986D+02
      4   0.894688D+01 -0.532183D+01 -0.127123D+02 -0.135992D+02  0.777724D+01
      5  -0.471533D+01  0.203243D+01  0.427720D+02  0.739685D+01 -0.615102D+02
      6   0.266215D+00  0.415087D+01  0.400547D+01  0.414187D+01 -0.748713D+01
               226           227           228           229           230 
      1   0.336200D+01  0.916386D+01  0.483349D+01  0.237401D+02  0.593791D+01
      2  -0.685576D-01 -0.357440D+01 -0.229275D+01 -0.799497D+01  0.131292D+02
      3  -0.329344D+01 -0.558946D+01 -0.254073D+01 -0.157451D+02 -0.190671D+02
      4   0.827938D+01  0.959113D+01  0.192221D+01  0.337556D+02  0.826481D+02
      5   0.476472D+01  0.220397D+01  0.633631D+01  0.105655D+02  0.283093D+02
      6   0.238893D+01  0.869448D+00  0.284618D+00  0.615470D+01  0.175351D+02
               231           232           233           234           235 
      1  -0.632393D+00  0.112536D+02 -0.168030D+01  0.680351D+01  0.825741D+02
      2   0.210007D+01 -0.627456D+01  0.258710D+01 -0.469781D+01 -0.471407D+02
      3  -0.146767D+01 -0.497902D+01 -0.906800D+00 -0.210570D+01 -0.354333D+02
      4   0.269454D+02  0.849574D+01  0.278701D+02  0.175948D+02 -0.231810D+02
      5   0.204159D+02  0.174522D+02  0.183500D+02  0.145070D+02  0.387907D+02
      6   0.110605D+02  0.377283D+01  0.112701D+02  0.736823D+01 -0.334656D+01
               236           237           238           239           240 
      1  -0.232740D+02  0.296364D+02 -0.586622D+02  0.193349D+02 -0.190804D+02
      2   0.137027D+02 -0.194829D+02  0.328498D+02 -0.960262D+01  0.135548D+02
      3   0.957125D+01 -0.101535D+02  0.258124D+02 -0.973227D+01  0.552559D+01
      4   0.177841D+02 -0.110531D+02  0.275376D+02 -0.199576D+02  0.173086D+02
      5  -0.129793D+02  0.300204D+02 -0.275826D+02  0.182201D+02 -0.211345D+02
      6   0.205629D+01 -0.498516D+00  0.497543D+01 -0.362194D+01  0.436536D+01
               241           242           243           244           245 
      1   0.490555D+02 -0.116676D+02  0.311304D+02  0.268053D+01  0.573047D+00
      2  -0.318283D+02  0.915141D+01 -0.239115D+02 -0.350154D+01  0.219083D-01
      3  -0.172272D+02  0.251617D+01 -0.721888D+01  0.821006D+00 -0.594955D+00
      4  -0.135535D+02  0.185446D+02 -0.111226D+02  0.513828D+01  0.750236D+01
      5   0.461152D+02 -0.123283D+02  0.328339D+02  0.131172D+02  0.418151D+01
      6  -0.199994D+01  0.489054D+01 -0.311868D+01  0.591252D+01  0.151012D+01
               246           247           248           249           250 
      1   0.795162D+01 -0.813842D+00 -0.942608D+00 -0.114760D+01  0.101899D+02
      2  -0.481130D+01  0.154502D+01  0.310334D+01  0.152299D+01 -0.753452D+01
      3  -0.314032D+01 -0.731178D+00 -0.216073D+01 -0.375386D+00 -0.265538D+01
      4   0.461918D+01  0.112581D+02  0.114482D+02  0.839262D+01  0.668910D+01
      5   0.113404D+02  0.511546D+01  0.872601D+01  0.121869D+02  0.159482D+02
      6   0.330031D+01  0.312209D+01  0.603265D+01  0.959752D+01  0.536704D+01
               251           252           253           254           255 
      1  -0.333415D+01 -0.402359D+01 -0.456207D+02 -0.502137D+02  0.914418D+01
      2   0.144023D+01 -0.675825D+01  0.290438D+01  0.344687D+02  0.132379D+01
      3   0.189393D+01  0.107818D+02  0.427163D+02  0.157451D+02 -0.104680D+02
      4   0.120377D+02  0.132104D+02 -0.642027D+02 -0.106423D+02  0.619337D+01
      5   0.127506D+02  0.354365D+02  0.146738D+02  0.979509D+01  0.626192D+01
      6   0.867748D+01  0.160171D+02  0.677309D+01  0.532816D+00  0.336755D+01
               256           257           258           259           260 
      1  -0.378385D+02  0.133892D+02  0.130640D+02 -0.273731D+01  0.153017D+02
      2   0.301857D+02 -0.174165D+02 -0.528425D+01  0.224231D+01 -0.135876D+02
      3   0.765286D+01  0.402731D+01 -0.777977D+01  0.494994D+00 -0.171416D+01
      4   0.550260D+01  0.676183D+01 -0.992543D+01 -0.576643D+01 -0.184218D+02
      5   0.155698D+01 -0.151218D+02  0.163074D+02  0.147755D+02  0.163202D+02
      6  -0.698555D+01 -0.101433D+02  0.141713D+02  0.115450D+02  0.165099D+02
               261           262           263           264           265 
      1   0.894570D+01  0.348108D+02 -0.252624D+02  0.657548D+01 -0.282778D+02
      2   0.143833D+02 -0.934415D+01  0.485886D+01 -0.244065D+01  0.163092D+01
      3  -0.233290D+02 -0.254666D+02  0.204035D+02 -0.413483D+01  0.266469D+02
      4   0.216404D+02 -0.381025D+02  0.358029D+02 -0.806148D+01  0.499091D+02
      5   0.140416D+02  0.132194D+02 -0.938802D+01  0.923389D+01 -0.131365D+02
      6   0.364412D+01 -0.492215D+01  0.459020D+01 -0.252889D+01  0.616656D+01
               266           267           268           269           270 
      1   0.225506D+02 -0.498000D+01 -0.740808D+01  0.681117D+01  0.166944D+01
      2   0.813578D+01  0.746662D+00 -0.658209D+00  0.146922D+01 -0.302456D+00
      3  -0.306863D+02  0.423334D+01  0.806629D+01 -0.828039D+01 -0.136699D+01
      4  -0.630520D+02  0.126253D+02  0.103009D+02 -0.113785D+02 -0.502358D+01
      5   0.147691D+02 -0.126255D+02  0.507908D+01 -0.465072D+01  0.388778D+01
      6  -0.919272D+01  0.559247D+01 -0.235186D+01  0.350056D+01 -0.154128D+01
               271           272           273           274           275 
      1  -0.122375D+02  0.272490D+02 -0.194542D+01  0.180333D+02 -0.371687D+02
      2   0.148869D+02 -0.299507D+02  0.108639D-01 -0.166040D+02  0.518535D+02
      3  -0.264939D+01  0.270173D+01  0.193456D+01 -0.142935D+01 -0.146848D+02
      4   0.290546D+01 -0.537441D+01  0.123809D+01  0.404598D+01  0.217228D+02
      5   0.261190D+01 -0.260923D+01 -0.316527D+01 -0.398825D+01  0.419086D+01
      6  -0.125887D+01  0.417917D+01 -0.473076D+01  0.141512D+01 -0.620666D+01
               276           277           278           279           280 
      1   0.143812D+00  0.379763D+01 -0.625152D+01 -0.636731D+01  0.153250D+01
      2   0.537306D+00 -0.257022D+01  0.948680D+01  0.422123D+01 -0.234991D+01
      3  -0.681119D+00 -0.122741D+01 -0.323528D+01  0.214608D+01  0.817413D+00
      4  -0.255232D+00  0.136005D+01  0.769148D+01 -0.725348D+00  0.300008D+01
      5   0.257823D+01 -0.124249D+01  0.181509D+01  0.514956D+00 -0.402022D+01
      6   0.561012D+01 -0.286019D+01  0.501798D+01  0.662366D+00 -0.189880D+01
               281           282           283           284           285 
      1   0.493722D+01 -0.786046D+01 -0.862313D+00 -0.313672D+01 -0.290839D+01
      2  -0.451592D+01  0.102443D+01 -0.121599D+01 -0.209629D+00 -0.352131D+01
      3  -0.421302D+00  0.683603D+01  0.207830D+01  0.334635D+01  0.642971D+01
      4   0.427087D+00 -0.240411D+01 -0.149110D+01 -0.594910D+01 -0.173828D+01
      5  -0.433334D+00 -0.625725D+00  0.112593D+01 -0.685547D+00 -0.758557D+01
      6   0.145234D+01 -0.294199D+01  0.109727D+01  0.141876D+01 -0.911568D+00
               286           287           288           289           290 
      1  -0.882340D+01  0.166725D+01 -0.185167D+02  0.810573D+02  0.269036D+02
      2   0.324452D+01 -0.560227D+01 -0.148670D+02 -0.247741D+02 -0.103682D+01
      3   0.557888D+01  0.393501D+01  0.333838D+02 -0.562831D+02 -0.258668D+02
      4  -0.636888D+01 -0.879198D+01 -0.310705D+01  0.722949D+02  0.421532D+02
      5   0.552363D+01  0.406366D+00 -0.332389D+02 -0.230897D+02 -0.109682D+02
      6   0.439766D+00  0.453894D+01 -0.197697D+02 -0.951909D+01 -0.737582D+01
               291           292           293           294           295 
      1  -0.619703D+01  0.179594D+02  0.949848D+01 -0.192423D+01  0.126904D+01
      2   0.246246D+01  0.771814D+00  0.671046D+01  0.114434D+00  0.116882D+01
      3   0.373457D+01 -0.187313D+02 -0.162089D+02  0.180979D+01 -0.243786D+01
      4  -0.100029D+02  0.330346D+02  0.262133D+02 -0.386778D+01  0.179367D+00
      5   0.137352D+02 -0.698815D+01 -0.385037D+01  0.356704D+01  0.120165D+02
      6   0.768958D+01 -0.470826D+01 -0.426217D+01  0.298776D+01  0.605694D+01
               296           297 
      1  -0.978324D+00  0.558669D+01
      2   0.205059D+01 -0.424642D+01
      3  -0.107226D+01 -0.134027D+01
      4   0.159256D+01  0.591300D+01
      5   0.462739D+01 -0.500621D+01
      6   0.322247D+01 -0.249979D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x         -0.395197D+00     -0.100449D+01     -0.335062D+01
   y          0.116479D+00      0.296061D+00      0.987552D+00
   z          0.467266D+00      0.118767D+01      0.396165D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.207638D+03      0.307687D+02      0.342348D+02
   yx         0.859183D+01      0.127318D+01      0.141660D+01
   yy         0.129804D+03      0.192349D+02      0.214017D+02
   zx        -0.367802D+01     -0.545026D+00     -0.606423D+00
   zy         0.680300D+01      0.100810D+01      0.112166D+01
   zz         0.142111D+03      0.210587D+02      0.234310D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174496D+03      0.258577D+02      0.287705D+02
   aniso      0.849301D+02      0.125853D+02      0.140031D+02
   xx         0.228798D+03      0.339043D+02      0.377237D+02
   yx         0.931989D+01      0.138107D+01      0.153664D+01
   yy         0.141133D+03      0.209137D+02      0.232697D+02
   zx        -0.433528D+01     -0.642422D+00     -0.714791D+00
   zy         0.697285D+01      0.103327D+01      0.114967D+01
   zz         0.153558D+03      0.227549D+02      0.253183D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.99629869         -1.16659233         -0.62187336
     6         -1.75483707         -1.24733482          2.00410421
     6         -0.07021343         -0.24004431         -2.13652369
     6          2.17462890          0.63549753         -1.06623725
     6          2.43510919          0.54002315          1.54674222
     6          0.49521669         -0.38240268          3.05813231
     6         -3.89475450         -2.18400460          3.62521449
     6         -6.09564098         -0.29327574          3.88218847
     6         -5.25290596          2.16509076          5.13814707
     6         -8.28755635         -1.49877103          5.32370596
     6          4.27618626          1.70037635         -2.70948339
     6          5.08435486         -0.30301368         -4.59334465
     8          4.28789540         -0.53411162         -6.71170882
     8          6.81301502         -1.89912656         -3.59571769
     1         -3.71873201         -1.85008203         -1.49425873
     1         -0.29772683         -0.22034128         -4.16976480
     1          4.17238522          1.19083807          2.41244704
     1          0.73707648         -0.43201145          5.09045120
     1         -3.18744803         -2.63664455          5.51447001
     1         -4.63430534         -3.94358732          2.83210369
     1         -6.74971277          0.15694319          1.96988184
     1         -4.56501341          1.80513489          7.05418313
     1         -6.82285844          3.49646454          5.27469901
     1         -3.73455167          3.07415846          4.08294267
     1         -7.71289306         -1.99705110          7.24533970
     1         -8.94233247         -3.22180452          4.39548544
     1         -9.88744631         -0.20376929          5.46483125
     1          5.89499024          2.07323949         -1.48944743
     6          3.48861887          4.13083532         -4.06245746
     1          7.15849612         -3.17592655         -4.86539219
     1          2.89918868          5.53632259         -2.67697489
     1          1.92125919          3.77471491         -5.34648956
     1          5.05089378          4.90098401         -5.16503231

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.622966D+00      0.158342D+01      0.528172D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.178798D+03      0.264951D+02      0.294798D+02
   yx         0.136405D+02      0.202131D+01      0.224901D+01
   yy         0.129333D+03      0.191652D+02      0.213241D+02
   zx        -0.307896D+02     -0.456254D+01     -0.507651D+01
   zy        -0.616562D+01     -0.913651D+00     -0.101657D+01
   zz         0.171421D+03      0.254020D+02      0.282636D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174496D+03      0.258577D+02      0.287705D+02
   aniso      0.849301D+02      0.125853D+02      0.140031D+02
   xx         0.195453D+03      0.289631D+02      0.322258D+02
   yx         0.148622D+02      0.220235D+01      0.245045D+01
   yy         0.140763D+03      0.208589D+02      0.232086D+02
   zx        -0.355489D+02     -0.526780D+01     -0.586121D+01
   zy        -0.704069D+01     -0.104332D+01     -0.116085D+01
   zz         0.187274D+03      0.277511D+02      0.308772D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F07-22\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-0.646549,-0.738131,-0.801564\C,-1.432592,-0.511522,0.329
 783\C,0.68001,-0.338401,-0.847846\C,1.266867,0.302071,0.243935\C,0.492
 409,0.520436,1.377965\C,-0.838534,0.122026,1.41791\C,-2.882387,-0.9136
 37,0.347539\C,-3.797679,0.013396,-0.476375\C,-3.787727,1.442814,0.0618
 06\C,-5.218015,-0.547768,-0.52076\C,2.71306,0.76711,0.19183\C,3.602939
 ,-0.42927,-0.086386\O,3.981236,-0.787282,-1.17171\O,3.915201,-1.096316
 ,1.047826\H,-1.080077,-1.240686,-1.658424\H,1.270566,-0.537518,-1.7332
 03\H,0.933056,1.005917,2.240389\H,-1.424007,0.306057,2.310676\H,-3.244
 624,-0.936082,1.379648\H,-2.980608,-1.931165,-0.04143\H,-3.406098,0.03
 4214,-1.499523\H,-4.163541,1.470389,1.088857\H,-4.425556,2.090476,-0.5
 42757\H,-2.782177,1.864314,0.062741\H,-5.646809,-0.595436,0.484188\H,-
 5.235024,-1.556669,-0.938514\H,-5.870883,0.08041,-1.129959\H,2.976513,
 1.139253,1.182625\C,2.933498,1.865447,-0.850054\H,4.436417,-1.871707,0
 .786177\H,2.278614,2.710285,-0.637065\H,2.713092,1.4975,-1.850637\H,3.
 967865,2.211791,-0.839432\\Version=ES64L-G16RevA.03\State=1-A\HF=-657.
 0243758\RMSD=9.069e-09\RMSF=3.633e-06\ZeroPoint=0.2841143\Thermal=0.29
 9817\Dipole=-0.3951974,0.1164792,0.4672663\DipoleDeriv=-0.1300535,0.03
 5352,0.0231723,0.0277115,-0.066299,0.0710308,0.084727,0.0942769,0.0467
 666,0.3315175,0.0470541,0.0211744,0.1134197,-0.067765,0.0243013,0.0242
 605,0.0187992,-0.0821011,-0.1034301,-0.0048859,-0.033065,-0.007702,-0.
 0932587,0.0401624,-0.0660876,0.0327982,-0.0018166,0.2700829,0.0609446,
 -0.0697346,0.1762475,-0.1152362,-0.0209535,-0.0088253,0.005423,-0.0727
 68,-0.0736012,0.035675,0.0491157,0.0426434,-0.0667473,0.0731865,0.0016
 126,0.0729834,0.0581552,-0.1512521,-0.0050104,-0.0766408,-0.061504,-0.
 0995636,0.0487704,-0.1036786,0.0264885,0.0389577,0.0000628,-0.0039896,
 -0.0546494,0.0945721,0.1161084,0.018528,-0.1547335,-0.0152173,0.142232
 2,0.1505204,0.0011282,0.0256971,-0.125619,0.1192031,0.016464,0.1132001
 ,0.0330648,0.0878038,0.0211728,-0.036928,-0.0300422,0.0034588,-0.03256
 7,-0.0440273,-0.0567937,-0.0183855,0.1177777,-0.0131453,-0.033256,-0.0
 118006,0.0471366,0.081256,0.0038914,-0.0692321,-0.0131199,0.1305777,-0
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 One man practicing sportsmanship is far better than 50 preaching it.
 -- Knute K. Rockne
 Job cpu time:       1 days  3 hours 32 minutes  6.8 seconds.
 Elapsed time:       0 days  3 hours 26 minutes 34.9 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 15:56:16 2021.
